data_6qeb_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6qeb _Structure_validation_residue.Date_analyzed 2019-02-01 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.378 0.132 . . . . 3.85 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 30.0 Cg_endo -63.91 125.05 14.58 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 3.29 112.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 249' ' ' PRO . 10.8 p -147.22 148.37 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 2.72 111.178 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.13 138.04 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 2.44 110.7 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.498 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.5 mp -76.67 130.5 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.95 110.736 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 37' ' ' THR . 10.3 m-20 -113.45 124.91 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 1.53 111.309 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -80.37 -32.06 37.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.83 -0.623 . . . . 2.28 111.371 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -63.95 -37.85 88.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 4.16 111.569 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -87.37 -15.98 36.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 2.26 111.495 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.74 156.65 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 1.59 111.076 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -134.22 136.46 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 4.1 110.855 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -69.91 128.34 36.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 4.34 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.11 91.13 40.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 3.04 111.092 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.48 29.29 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.176 . . . . 2.51 112.525 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -77.27 -30.49 54.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.869 0.366 . . . . 3.54 110.898 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.23 160.65 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 3.49 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.48 114.92 63.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 4.66 110.78 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.77 125.78 17.43 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.263 1.975 . . . . 2.89 112.181 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -138.31 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 5.61 110.785 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.5 p -108.19 128.97 55.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 3.01 110.88 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.46 154.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 2.88 110.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -110.79 151.24 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 2.94 110.876 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -173.95 37.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 5.23 111.365 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.5 -29.09 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 4.17 110.727 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' HB2' ' HA ' ' A' ' 76' ' ' LYS . 12.1 mm100 -92.74 -11.42 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.563 . . . . 5.15 111.359 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.68 120.44 5.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.19 111.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -156.65 145.55 20.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 2.31 111.374 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -93.46 164.13 13.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 2.24 110.714 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.62 -39.27 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 4.0 111.257 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.527 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.7 ptt180 -168.53 169.74 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 5.17 111.113 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.56 121.26 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 2.2 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -112.4 139.66 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 3.06 110.813 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.8 m-20 -100.8 155.63 17.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.247 -0.433 . . . . 2.16 111.125 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -106.74 19.55 20.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 3.54 111.172 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 82.5 14.07 76.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.435 -0.888 . . . . 2.67 112.253 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -175.03 -49.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 5.03 110.603 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.83 137.68 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 2.49 110.467 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.481 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 55.4 p90 -126.04 155.49 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 3.96 111.612 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 94' ' ' HIS . 3.1 m-80 -129.27 151.49 49.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.629 -0.714 . . . . 3.14 109.976 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.4 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 17.7 m -85.85 129.65 37.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.704 0.288 . . . . 2.51 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.45 150.02 21.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 3.84 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -129.6 160.9 31.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 4.98 110.792 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.89 95.55 9.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.398 -0.365 . . . . 3.04 110.949 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 27.1 t70 -76.04 -1.26 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 3.88 110.94 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.3 p -70.82 -0.19 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 3.52 111.193 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -144.6 177.82 8.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.323 -0.398 . . . . 4.49 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -88.74 77.99 7.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.206 -0.452 . . . . 2.84 111.196 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 41.5 mtmt -64.29 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 3.74 111.335 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -138.75 141.71 38.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 1.97 111.065 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.88 144.87 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 2.27 111.021 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.64 139.52 48.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 2.78 110.876 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -157.43 147.72 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.995 0.426 . . . . 3.11 110.97 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.17 127.92 1.9 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.973 -0.632 . . . . 2.5 112.035 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.74 -165.56 12.06 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.588 -0.815 . . . . 2.96 112.446 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.97 9.9 3.38 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.756 2.304 . . . . 4.5 112.585 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.31 149.1 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 3.36 110.777 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -105.01 17.31 24.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.357 -0.383 . . . . 5.04 111.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.23 143.87 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 2.03 112.614 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -66.06 156.7 33.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 2.23 111.064 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.502 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 91.1 m-85 -114.49 125.24 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 3.57 111.304 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -103.54 145.66 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 4.36 111.198 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.54 HD21 ' HB1' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -104.74 143.45 33.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 3.01 110.684 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.504 HG12 ' N ' ' A' ' 92' ' ' GLN . 0.2 OUTLIER -120.89 -46.04 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.526 0.565 . . . . 2.89 112.526 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.504 ' N ' HG12 ' A' ' 91' ' ' ILE . 26.5 pt20 -157.02 165.84 35.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.894 0.378 . . . . 3.0 111.675 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.4 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 44.7 p90 -156.48 161.78 40.01 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.891 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.414 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 p-80 -139.95 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 1.36 110.311 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.49 ' HB3' HD21 ' A' ' 118' ' ' LEU . 30.5 p90 -121.71 144.24 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 3.9 111.452 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 243' ' ' ASN . 11.0 m80 -94.9 173.84 7.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.984 -0.553 . . . . 2.17 109.939 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.552 ' HB2' ' HA ' ' A' ' 241' ' ' VAL . 10.5 m-90 -126.72 179.97 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.811 0.339 . . . . 6.63 111.126 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.7 158.38 21.8 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.998 -0.62 . . . . 3.04 112.408 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.6 m -84.67 -24.48 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.658 0.266 . . . . 4.64 111.291 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 5.7 111.099 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -87.21 38.12 0.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.042 -0.526 . . . . 5.38 111.105 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.8 -33.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.672 -0.775 . . . . 4.71 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -153.95 169.81 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 5.24 110.779 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.59 55.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.682 -0.77 . . . . 2.08 112.803 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 t -97.01 179.3 4.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.646 0.26 . . . . 2.22 110.58 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.74 -75.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 2.64 110.693 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.61 169.6 9.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.79 110.518 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.5 p -129.87 118.4 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 2.38 110.982 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' A' ' 33' ' ' ILE . 25.5 m -103.0 150.02 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 2.7 111.097 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.4 t70 52.41 39.37 27.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 2.18 110.749 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 55.66 20.8 4.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 3.86 111.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -121.63 150.14 42.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 4.34 110.554 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -120.73 143.8 48.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 3.01 111.083 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.11 176.4 5.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 2.48 110.651 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.94 -44.22 13.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.724 0.297 . . . . 2.1 111.23 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.71 166.78 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.99 110.986 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 8.8 pt-20 -152.26 148.56 27.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.809 0.338 . . . . 2.4 111.315 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 96.2 mt -86.58 148.08 25.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 2.52 110.899 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -122.36 95.35 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 1.93 110.162 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.504 HD22 HD21 ' A' ' 143' ' ' LEU . 54.2 tp -99.15 108.95 21.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.378 . . . . 2.98 111.242 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -92.65 130.51 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 2.44 110.773 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.502 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 9.4 p80 -131.79 153.41 50.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 3.2 110.945 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -133.8 134.54 42.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 4.68 110.652 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -58.1 111.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 2.56 110.704 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 t -71.94 -14.98 62.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 2.19 111.36 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -64.06 -32.02 73.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 4.02 110.632 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -90.83 7.81 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.576 . . . . 4.5 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.88 -76.49 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 2.38 112.404 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.78 168.09 20.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 3.07 110.796 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -56.55 -23.13 38.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 3.61 110.806 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.32 91.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 2.51 112.154 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -89.8 -21.12 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 4.04 110.664 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.76 -39.4 57.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.059 -0.519 . . . . 2.12 111.095 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.48 -12.44 8.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 2.79 111.085 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.31 -14.41 61.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 4.15 110.858 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -138.2 156.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 3.37 110.7 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.36 -51.03 2.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.426 2.084 . . . . 2.89 112.577 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.08 27.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.05 -0.523 . . . . 2.64 111.524 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.07 -72.35 1.13 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.753 -0.737 . . . . 1.75 112.832 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.27 141.16 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 2.23 110.805 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.44 161.65 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 1.5 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.6 t -120.43 130.24 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 1.88 111.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 209' ' ' ILE . 41.8 tp -93.71 127.52 39.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.177 -0.465 . . . . 2.67 110.444 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -105.99 110.28 3.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.655 -0.783 . . . . 1.4 112.689 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 47.8 mm -100.82 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.627 0.251 . . . . 2.06 111.032 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -114.74 155.21 27.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 5.19 111.027 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.94 132.54 53.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 3.73 110.982 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 4.63 110.77 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 131.7 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 3.58 111.109 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -124.85 -14.12 3.51 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.681 -0.771 . . . . 3.15 112.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.1 m 62.38 15.09 7.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.98 0.419 . . . . 4.35 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -120.74 94.26 4.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 4.28 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.607 ' HB2' ' HZ1' ' A' ' 153' ' ' LYS . 4.4 ttmp? -56.28 116.68 13.33 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.395 -0.366 . . . . 5.57 110.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.81 36.31 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.298 1.999 . . . . 3.3 112.609 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.23 56.13 3.31 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.686 -0.769 . . . . 2.71 112.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.485 HD23 HG21 ' A' ' 159' ' ' VAL . 84.7 mt -120.07 28.49 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 4.34 110.686 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -52.65 -46.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.904 -0.589 . . . . 4.04 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -64.14 -35.0 79.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 5.16 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.485 HG21 HD23 ' A' ' 156' ' ' LEU . 61.0 t -61.63 -25.99 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 3.48 110.959 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.67 -31.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 3.6 111.029 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.85 -44.73 72.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 3.01 110.895 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.76 -22.15 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 3.02 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -36.51 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.567 . . . . 2.72 111.322 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.47 -12.67 4.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 2.42 110.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.3 t -82.2 -31.85 30.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 2.22 111.393 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -103.88 51.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.179 0.514 . . . . 3.02 110.903 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 228' ' ' LEU . 88.4 tttt -64.17 -41.99 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 4.14 110.951 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.5 p -106.67 148.85 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 2.82 111.155 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 2.4 mptp? -80.57 148.19 30.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 3.97 111.148 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.59 -9.63 26.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.931 -0.652 . . . . 2.38 112.514 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -108.08 176.42 5.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 3.72 111.238 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 91.9 p -142.12 168.39 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.869 -0.605 . . . . 2.54 111.053 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -155.95 125.13 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 2.36 110.744 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.34 121.35 16.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 3.74 111.103 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.527 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 45.5 t80 -144.58 109.01 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 5.29 110.508 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.0 t -114.42 -178.54 3.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 5.01 110.948 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.6 m120 61.68 56.82 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 7.01 111.246 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -96.3 150.21 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 5.44 110.443 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.47 78.38 11.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 3.92 111.285 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -78.59 -14.32 14.34 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.508 2.139 . . . . 5.03 112.156 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.22 -26.53 33.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 9.4 110.738 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.54 -19.86 36.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.743 . . . . 3.43 112.463 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 -13.08 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.547 0.213 . . . . 6.25 111.358 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.452 HD11 ' HD2' ' A' ' 185' ' ' PRO . 46.2 tp -103.13 117.4 60.45 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.675 -0.239 . . . . 5.0 111.27 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . 0.452 ' HD2' HD11 ' A' ' 184' ' ' LEU . 85.8 Cg_endo -80.04 169.27 17.94 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.483 2.122 . . . . 4.45 112.226 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.16 -43.15 61.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.582 -0.281 . . . . 6.38 111.111 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.2 t 59.09 101.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.846 0.355 . . . . 5.39 111.329 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 85.4 mt -98.99 -53.69 3.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 4.68 110.955 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.93 153.08 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 3.78 110.595 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.43 ' HB2' ' HA ' ' A' ' 211' ' ' LEU . 31.0 p90 -169.96 146.52 3.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.753 0.311 . . . . 3.57 111.034 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.489 ' HB2' HG12 ' A' ' 210' ' ' VAL . 1.8 m-90 -72.57 170.24 14.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 4.84 110.248 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.2 t -147.39 166.76 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 2.03 111.572 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -162.64 75.8 2.04 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 3.02 110.637 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.471 ' HA ' HG23 ' A' ' 207' ' ' THR . 57.8 Cg_endo -72.73 161.16 44.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.461 2.107 . . . . 1.7 112.411 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 156.94 -148.62 18.65 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.664 -0.779 . . . . 1.85 112.638 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.744 0.307 . . . . 2.97 110.828 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.866 0.365 . . . . 5.45 111.115 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.48 27.33 5.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 3.98 110.425 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.91 35.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.917 -0.583 . . . . 3.13 110.735 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.06 125.31 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 2.42 111.578 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 194' ' ' PRO . 5.9 m -112.48 149.16 33.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 1.8 110.499 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -113.93 108.41 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 3.11 110.974 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.595 ' HB ' HD11 ' A' ' 143' ' ' LEU . 7.9 mm -104.47 153.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 2.13 111.007 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 191' ' ' TRP . 3.0 p -142.2 123.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.393 . . . . 2.73 111.043 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 190' ' ' TYR . 86.8 mt -87.48 139.22 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 4.37 111.123 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.517 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 21.9 pttp -71.49 -11.87 61.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.529 . . . . 6.2 111.147 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.517 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 19.5 mm-40 -120.48 78.18 27.95 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.436 -0.347 . . . . 5.91 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.89 149.01 86.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.678 2.252 . . . . 4.22 112.114 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 118' ' ' LEU . 86.4 mt -68.95 130.28 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 4.88 110.656 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 48.2 t -81.75 142.92 32.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 3.8 111.423 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 67.2 t -142.0 140.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.636 . . . . 3.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 86.2 p -82.56 148.45 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.027 0.442 . . . . 3.66 111.115 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 97.6 p -65.85 -17.51 64.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.842 -0.617 . . . . 3.12 111.029 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.36 -27.96 61.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 4.51 110.75 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.63 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.4 -17.96 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 2.92 111.171 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.67 -21.08 66.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 3.21 110.745 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -83.16 -35.57 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 4.23 110.892 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -70.21 -25.04 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 4.01 111.069 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -61.0 -31.59 71.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 5.4 111.2 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -86.14 -15.17 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 3.8 111.38 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 167' ' ' LYS . 84.4 mt -76.73 162.1 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 3.46 111.135 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -81.54 165.84 20.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 3.16 111.123 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 231' ' ' ASN . 46.1 p90 -91.48 -4.94 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 6.2 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 230' ' ' PHE . 48.7 t-20 . . . . . 0 N--CA 1.462 0.173 0 CA-C-N 116.169 -0.469 . . . . 4.89 110.728 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.765 0.317 . . . . 5.59 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 19.2 ptp -86.52 2.59 47.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 5.6 111.205 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.8 p -66.64 144.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 3.98 111.09 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.78 38.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 3.67 110.256 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 96' ' ' HIS . 16.0 m120 -135.54 57.0 1.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 4.18 111.603 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -96.56 138.36 34.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 3.85 110.793 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.532 ' HD3' ' HD2' ' A' ' 246' ' ' PRO . 21.7 tpp180 -140.98 129.04 12.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 4.15 111.166 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.532 ' HD2' ' HD3' ' A' ' 245' ' ' ARG . 72.1 Cg_endo -75.43 166.9 27.75 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.338 2.025 . . . . 2.75 111.809 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -173.19 48.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.723 0.297 . . . . 3.18 111.65 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -57.79 130.43 82.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 5.96 110.525 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . 0.599 ' HA ' HG21 ' A' ' 31' ' ' VAL . 83.5 Cg_endo -81.69 123.51 4.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.449 2.099 . . . . 4.47 112.898 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 45.3 tp -80.53 -48.66 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 4.44 110.311 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . 0.63 ' HB2' ' HZ2' ' A' ' 251' ' ' LYS . 0.3 OUTLIER -161.75 -52.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.514 -0.766 . . . . 7.2 110.465 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 57.69 90.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 5.62 111.233 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -76.05 -65.56 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 6.22 110.447 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -144.58 136.15 25.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 3.56 110.436 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 15.3 tt -111.29 135.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 2.59 111.278 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.81 137.4 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 3.38 110.764 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.525 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.01 142.86 7.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.364 -0.38 . . . . 1.68 111.248 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 37.9 t -77.9 -20.5 52.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 2.4 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -111.95 147.12 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 3.83 110.559 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.148 -0.929 . . . . 4.92 111.101 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 75.8 p . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.396 0.141 . . . . 3.85 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 18.6 Cg_exo -66.04 124.97 13.35 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.487 2.125 . . . . 3.29 112.37 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 32' ' ' ASP . 3.3 p -150.84 172.04 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.72 110.78 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.524 ' H ' HG23 ' A' ' 31' ' ' VAL . 6.3 p-10 -91.94 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 2.44 110.601 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -83.79 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.95 111.099 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.498 ' HB2' HG21 ' A' ' 37' ' ' THR . 3.6 m-20 -111.16 129.49 55.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 1.53 111.248 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.5 m -56.77 -19.24 15.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 2.28 110.681 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -79.0 -41.11 29.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 4.16 111.41 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.498 HG21 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -78.53 -21.35 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 2.26 111.235 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.13 157.78 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.59 111.006 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -126.33 141.87 51.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 4.1 110.777 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -86.87 97.93 10.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 4.34 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.24 111.07 18.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 3.04 110.807 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.97 90.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.504 2.136 . . . . 2.51 112.441 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -74.92 -45.62 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 3.54 110.599 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.69 150.18 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.49 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 4.8 mtpm? -107.05 116.32 58.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 4.66 110.907 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.84 125.8 20.18 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.05 1.833 . . . . 2.89 111.453 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.44 -0.345 . . . . 5.61 111.028 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.465 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 40.6 t -133.29 140.6 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 3.01 110.83 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.88 113.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 2.88 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 30.7 t -112.04 117.86 33.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 2.94 110.794 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -150.81 22.49 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.238 0.542 . . . . 5.23 110.324 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.47 -39.56 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 4.17 110.37 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.79 -8.65 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 5.15 110.636 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.65 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.32 120.45 3.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.282 -0.417 . . . . 2.19 110.8 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 178' ' ' PHE . 48.2 m -148.45 143.38 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.947 0.403 . . . . 2.31 111.369 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -96.84 155.94 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.928 -0.578 . . . . 2.24 110.497 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -111.83 -39.02 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 4.0 111.291 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -160.91 165.54 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 5.17 111.08 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.458 ' HB ' HG12 ' A' ' 68' ' ' VAL . 6.7 tt -131.72 111.92 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 2.2 110.73 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.09 157.44 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 3.06 111.167 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.459 ' CG ' ' H ' ' A' ' 170' ' ' GLY . 12.1 p30 -126.5 157.41 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 2.16 110.778 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -106.5 22.97 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 3.54 111.875 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.44 14.55 65.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.274 -0.965 . . . . 2.67 112.519 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -168.29 -52.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 5.03 110.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.99 147.12 40.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 2.49 110.689 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -120.47 139.7 52.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.252 -0.431 . . . . 3.96 111.191 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.11 153.09 48.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 3.14 110.818 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.458 HG12 ' HB ' ' A' ' 59' ' ' ILE . 3.1 m -114.99 116.59 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 2.51 111.267 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 37.8 tt0 -95.77 149.87 21.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.926 0.393 . . . . 3.84 111.141 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.58 159.69 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 4.98 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 16.0 t70 -83.02 98.08 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 3.04 110.793 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.44 30.64 6.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 3.88 111.144 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.7 m -60.87 -25.91 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.52 111.048 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -141.92 -68.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 4.49 110.936 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -150.8 137.41 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 2.84 110.703 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.65 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 12.7 tppt? -158.14 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 3.74 110.805 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 54' ' ' ALA . . . -141.2 123.63 15.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.97 111.037 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.07 148.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 2.27 111.01 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.598 ' HG ' HD22 ' A' ' 90' ' ' LEU . 76.0 mt -117.75 124.54 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.448 -0.342 . . . . 2.78 110.391 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 97.1 mttt -127.04 164.11 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 3.11 111.211 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.79 165.85 20.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.039 -0.601 . . . . 2.5 112.245 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.67 179.36 47.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.389 -0.91 . . . . 2.96 112.38 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.87 -36.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.622 2.215 . . . . 4.5 112.553 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -55.38 148.91 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.164 -0.471 . . . . 3.36 111.267 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.9 15.84 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 5.04 110.638 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.97 78.48 1.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 2.03 112.582 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 t -58.58 149.6 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 2.23 111.03 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -112.41 116.98 31.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.273 -0.421 . . . . 3.57 110.853 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -102.41 135.28 44.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 4.36 110.899 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.598 HD22 ' HG ' ' A' ' 79' ' ' LEU . 1.4 mm? -90.82 139.35 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 3.01 110.421 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.501 ' N ' HD13 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 2.89 111.553 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 13.9 pt20 -159.35 161.76 35.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.597 -0.274 . . . . 3.0 111.065 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.47 157.46 45.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 1.76 110.968 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -124.18 168.73 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.983 -0.553 . . . . 1.36 110.832 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -110.68 151.76 27.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.343 -0.39 . . . . 3.9 111.259 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -116.94 173.09 6.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.084 -0.507 . . . . 2.17 110.057 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -167.5 150.38 6.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 6.63 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 241' ' ' VAL . . . -117.69 -153.95 9.77 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.903 -0.665 . . . . 3.04 112.397 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.49 ' HA ' ' HE3' ' A' ' 240' ' ' MET . 41.8 t -90.36 -26.28 20.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 4.64 110.996 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.98 150.79 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 5.7 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.06 8.01 11.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 5.38 110.728 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 -26.89 11.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 4.71 111.857 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -153.42 155.66 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 5.24 111.101 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.42 70.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 2.08 112.463 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.4 p -167.91 165.86 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 2.22 110.996 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 39.1 mt-10 -83.11 -76.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.64 110.702 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -81.87 162.82 22.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 2.79 110.586 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 32' ' ' ASP . 26.4 p -145.42 88.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 2.38 111.185 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.545 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.7 m -77.75 159.29 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 2.7 111.36 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.61 23.79 6.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 2.18 110.856 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 59.74 10.81 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 3.86 111.371 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -93.24 154.47 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 4.34 111.001 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -106.33 154.77 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 3.01 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -130.41 134.92 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.48 110.528 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.02 -44.43 11.58 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.97 0.414 . . . . 2.1 110.977 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -122.35 162.12 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 1.99 110.214 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -152.8 139.89 19.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.017 0.436 . . . . 2.4 112.096 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.691 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 53.5 mt -86.84 148.03 25.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 2.52 110.349 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.98 95.72 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.314 . . . . 1.93 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.413 HD22 HD23 ' A' ' 143' ' ' LEU . 63.6 tp -98.49 139.56 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 2.98 110.38 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.56 136.26 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 2.44 111.541 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.486 ' HE2' ' HB1' ' A' ' 141' ' ' ALA . 19.4 p-80 -131.97 134.11 45.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 3.2 110.531 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -130.57 120.72 24.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 4.68 110.355 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.555 ' N ' ' HH ' ' A' ' 127' ' ' TYR . 3.0 m-20 -55.42 142.91 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 2.56 111.082 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.0 t -82.09 -14.28 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 2.19 111.186 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -48.56 -36.28 15.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.979 -0.555 . . . . 4.02 111.841 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.555 ' HH ' ' N ' ' A' ' 124' ' ' ASN . 9.9 p90 -100.03 -30.3 12.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.834 -0.346 . . . . 4.5 111.633 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.34 -22.55 0.63 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.82 -0.705 . . . . 2.38 113.336 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 127' ' ' TYR . 6.8 p-10 -141.88 147.92 37.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.994 0.397 . . . . 3.07 111.226 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.13 -21.1 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.853 -0.612 . . . . 3.61 110.866 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -39.84 98.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 2.51 112.278 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HA ' HE21 ' A' ' 135' ' ' GLN . 63.5 mttp -89.86 -18.27 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 4.04 111.022 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.42 66.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 2.12 111.066 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.0 -12.45 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 2.79 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.451 HE21 ' HA ' ' A' ' 132' ' ' LYS . 39.9 mt-30 -72.32 2.2 6.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.332 . . . . 4.15 111.019 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -152.91 145.47 17.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 3.37 110.798 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.66 -16.25 42.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.694 2.263 . . . . 2.89 112.213 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.11 21.06 18.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 2.64 111.058 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.16 -80.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 1.75 112.812 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.23 135.87 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 2.23 111.018 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.486 ' HB1' ' HE2' ' A' ' 122' ' ' HIS . . . -114.58 165.2 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.5 110.619 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.39 130.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 1.88 111.552 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 120' ' ' LEU . 49.5 tp -86.02 143.89 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 2.67 110.682 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.07 109.78 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 1.4 112.309 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 63.1 mt -104.91 141.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 2.06 110.848 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.74 152.08 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 5.19 111.148 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 81.4 mt -129.47 134.04 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 3.73 110.667 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -114.92 134.54 55.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 4.63 110.957 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.6 148.59 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 3.58 111.047 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 106.58 51.29 0.81 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.745 -0.741 . . . . 3.15 112.735 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.1 m -129.5 131.58 46.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.657 0.265 . . . . 4.35 110.637 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.65 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.372 . . . . 4.28 111.156 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.564 ' HZ1' ' HB3' ' A' ' 153' ' ' LYS . 4.7 ttpm? -55.64 118.51 19.87 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 5.57 111.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.01 -21.75 9.18 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.3 2.0 . . . . 3.3 112.347 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.19 56.57 0.01 OUTLIER Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.852 -0.69 . . . . 2.71 112.596 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.28 19.31 14.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.743 0.306 . . . . 4.34 110.861 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.437 ' HB2' ' HE3' ' A' ' 153' ' ' LYS . 10.5 tt0 -59.84 -21.41 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 4.04 110.961 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -56.77 -25.77 56.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 5.16 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.21 -31.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 3.48 110.809 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.96 -30.9 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 3.6 110.904 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 -38.89 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 3.01 110.629 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.9 t -69.2 -24.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.965 -0.562 . . . . 3.02 111.082 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -32.34 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 2.72 111.0 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.92 -12.63 11.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 2.42 110.869 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 49.4 m -85.37 -26.15 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 2.22 111.093 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.19 51.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.227 0.537 . . . . 3.02 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.3 -47.14 65.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 4.14 110.416 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 31.4 p -118.51 136.74 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 2.82 111.145 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -74.46 147.36 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 3.97 110.667 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.459 ' H ' ' CG ' ' A' ' 61' ' ' ASN . . . 111.74 -18.69 24.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.891 -0.671 . . . . 2.38 112.776 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -97.02 154.45 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 3.72 110.845 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.7 p -98.24 161.63 13.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 2.54 111.215 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.52 118.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 2.36 110.746 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -82.54 143.07 31.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.384 . . . . 3.74 111.507 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -156.52 105.04 2.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 5.29 110.481 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.9 t -118.7 -174.74 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 5.01 111.146 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 65.34 56.85 0.95 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 7.01 110.856 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . 0.481 ' H ' HG22 ' A' ' 55' ' ' THR . 64.3 t80 -99.38 136.01 39.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 5.44 110.659 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.4 92.39 11.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 3.92 111.108 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.44 -13.25 15.12 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.714 2.276 . . . . 5.03 112.646 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.16 -18.75 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 9.4 110.578 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.02 69.06 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.757 -0.735 . . . . 3.43 112.455 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.52 18.98 12.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.599 0.238 . . . . 6.25 111.162 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 185' ' ' PRO . 52.5 tp -51.96 116.53 8.35 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.332 -0.395 . . . . 5.0 110.95 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . 0.48 ' HD2' HD11 ' A' ' 184' ' ' LEU . 85.7 Cg_endo -77.79 165.22 26.97 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.479 2.119 . . . . 4.45 112.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.66 -23.31 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.918 -0.583 . . . . 6.38 110.883 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.7 m 55.09 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 5.39 111.182 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 20.0 tp -144.09 -79.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 4.68 110.489 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 20.0 m-20 -79.0 172.82 13.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 3.78 110.657 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -147.05 179.1 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 3.57 110.756 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.542 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 t-105 -148.14 131.11 16.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 4.84 109.939 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 9.3 t -133.9 165.89 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 2.03 111.875 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -159.4 73.56 3.34 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.971 -0.559 . . . . 3.02 110.602 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.606 ' HA ' HG22 ' A' ' 207' ' ' THR . 57.7 Cg_endo -72.34 129.32 14.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.484 2.122 . . . . 1.7 112.411 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -138.19 -145.56 4.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.786 -0.721 . . . . 1.85 112.497 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.642 0.258 . . . . 2.97 110.65 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.791 0.329 . . . . 5.45 110.694 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.92 27.09 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 3.98 110.711 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 46.3 t -49.8 -34.95 21.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 3.13 111.001 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.6 123.31 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 2.42 110.693 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.606 HG22 ' HA ' ' A' ' 194' ' ' PRO . 23.7 m -113.17 142.33 45.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 1.8 111.458 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -98.92 108.4 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 3.11 110.204 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 209' ' ' ILE . 4.3 mp -104.63 151.81 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 2.13 110.817 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.36 125.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 2.73 110.906 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.86 162.23 4.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 4.37 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.493 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 14.8 ptmm? -57.68 -44.79 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.304 . . . . 6.2 110.908 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.493 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 10.7 pt-20 -139.65 130.72 14.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 5.91 110.876 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -84.67 157.0 12.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.622 2.214 . . . . 4.22 112.404 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.6 mm -80.38 142.49 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 4.88 110.652 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -98.36 138.7 35.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 3.8 111.595 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 14.2 t -116.43 154.28 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.835 -0.62 . . . . 3.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.521 ' H ' HE21 ' A' ' 221' ' ' GLN . 84.8 p -109.84 149.89 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 3.66 110.915 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.8 t -59.71 -15.57 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 3.12 110.807 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.14 -35.66 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 4.51 110.215 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . 0.521 HE21 ' H ' ' A' ' 218' ' ' SER . 23.5 mt-30 -68.96 -24.58 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 4.63 110.598 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 226' ' ' ARG . 27.7 m -112.64 10.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 2.92 111.172 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.16 -42.24 80.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 3.21 110.743 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.502 ' HZ2' ' HE3' ' A' ' 227' ' ' LYS . 31.2 mmmt -84.29 -14.38 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 4.23 111.054 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' A' ' 228' ' ' LEU . 33.0 t80 -74.93 -32.04 61.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 4.01 111.023 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 77.1 mtm180 -62.25 -25.17 67.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 5.4 111.027 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . 0.502 ' HE3' ' HZ2' ' A' ' 224' ' ' LYS . 66.7 mttm -70.49 -10.04 58.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 3.8 110.89 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 225' ' ' PHE . 8.0 mp -95.08 162.25 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.46 110.995 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.1 170.14 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 3.16 110.524 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -49.86 -47.07 51.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.866 0.365 . . . . 6.2 110.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.558 . . . . 4.89 110.655 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.656 0.265 . . . . 5.59 110.634 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -59.69 -20.41 56.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 5.6 110.7 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.404 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 11.5 p -83.27 145.57 8.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 3.98 110.737 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.6 t70 179.52 -36.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.451 -0.341 . . . . 3.67 111.097 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -85.17 26.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 4.18 111.29 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -97.36 132.92 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 3.85 110.369 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.525 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 4.1 mmp_? -141.22 155.74 67.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 4.15 111.323 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.56 172.96 14.94 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 2.75 112.007 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -135.15 31.83 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 3.18 111.061 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.96 122.56 72.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 5.96 110.8 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.07 128.85 10.14 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.433 2.089 . . . . 4.47 112.382 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 250' ' ' LEU . 2.0 pt? -76.45 -35.68 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 4.44 110.648 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -160.06 -64.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 7.2 110.503 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -172.31 -66.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 5.62 110.664 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 61.31 146.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.118 -0.492 . . . . 6.22 111.578 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.46 145.88 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 3.56 110.613 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 14.4 tt -116.1 143.81 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 2.59 111.589 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 256' ' ' LYS . 3.5 mptp? -109.6 120.41 42.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.514 . . . . 3.38 110.587 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -138.37 162.98 33.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 1.68 110.86 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 42.5 t -70.47 -23.12 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.4 110.201 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 68.1 t80 -111.83 146.3 37.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.711 -0.677 . . . . 3.83 110.801 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.139 -0.934 . . . . 4.92 111.123 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.548 0.213 . . . . 3.85 110.82 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 128.67 31.31 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.515 2.143 . . . . 3.29 112.251 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -144.24 176.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 2.72 110.796 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 61.3 m-20 -85.55 98.6 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 2.44 110.787 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 33' ' ' ILE . 2.9 mp -83.74 139.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 1.95 110.73 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' HG23 ' A' ' 37' ' ' THR . 4.3 m-20 -113.13 129.09 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 1.53 110.888 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.8 p -72.9 -8.33 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 2.28 110.704 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -88.67 -39.46 14.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.851 -0.613 . . . . 4.16 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' ' 34' ' ' ASP . 12.1 t -76.28 -20.75 57.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 2.26 111.005 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.04 157.65 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 1.59 110.947 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -119.25 146.02 45.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.451 -0.34 . . . . 4.1 111.028 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.553 ' HB3' ' HG2' ' A' ' 260' ' ' LYS . 38.1 p90 -76.88 132.96 39.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 4.34 110.94 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -130.29 92.45 35.75 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 3.04 111.369 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.69 12.65 2.12 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.506 2.137 . . . . 2.51 112.405 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 m -74.93 -7.57 53.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 3.54 110.959 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 258' ' ' SER . 4.6 mp -105.18 113.04 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.542 . . . . 3.49 110.662 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 37.5 mtmm -78.67 158.5 75.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 4.66 110.874 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 12.1 Cg_endo -55.4 140.36 82.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.494 2.13 . . . . 2.89 112.149 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD21 ' H ' ' A' ' 47' ' ' LEU . 2.6 pt? -99.38 160.45 14.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 5.61 111.404 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -127.85 109.74 11.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.788 -0.642 . . . . 3.01 110.601 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 m -107.85 148.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 2.88 111.589 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -113.23 137.91 50.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.227 -0.442 . . . . 2.94 110.731 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -171.54 37.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 5.23 111.143 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.02 -19.97 46.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 4.17 110.027 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -117.07 1.82 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.675 . . . . 5.15 110.836 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HA ' ' HG2' ' A' ' 76' ' ' LYS . . . -52.38 124.61 13.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.458 -0.337 . . . . 2.19 110.97 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.47 HG21 ' H ' ' A' ' 178' ' ' PHE . 51.7 m -152.81 144.28 23.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 2.31 111.739 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -92.46 150.02 21.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.835 -0.62 . . . . 2.24 110.346 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.65 -38.39 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 4.0 111.479 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -161.31 157.93 26.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 5.17 111.326 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.8 mt -121.21 119.3 58.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 2.2 110.744 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -108.79 153.97 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 3.06 110.519 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.532 ' N ' HD21 ' A' ' 61' ' ' ASN . 0.9 OUTLIER -95.06 153.22 17.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 2.16 111.156 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -106.69 23.18 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 3.54 111.314 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.93 11.11 84.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.601 -0.809 . . . . 2.67 112.472 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -179.54 -49.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 5.03 110.926 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.71 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 2.49 110.876 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.2 133.74 55.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 3.96 110.737 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -133.32 146.84 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 3.14 110.689 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.91 133.04 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 2.51 111.013 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.622 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 40.3 tt0 -105.11 142.0 35.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.964 0.411 . . . . 3.84 111.327 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -117.57 147.47 42.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.796 -0.638 . . . . 4.98 110.629 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.98 101.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 3.04 110.514 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.16 0.27 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 3.88 111.126 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' A' ' 74' ' ' GLN . 48.1 t -58.05 -29.15 65.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 3.52 110.695 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 74' ' ' GLN . 1.9 mp0 -129.08 177.12 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.49 110.566 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.96 78.12 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 2.84 110.589 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.601 ' HG2' ' HA ' ' A' ' 54' ' ' ALA . 41.3 tttt -88.23 -61.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 3.74 111.032 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . . . -149.07 118.39 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.97 111.242 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -127.07 161.57 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 2.27 111.233 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 79' ' ' LEU . 1.4 mm? -119.4 120.92 38.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 2.78 110.874 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -145.54 164.57 31.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 3.11 110.936 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.68 -167.54 13.46 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.866 -0.683 . . . . 2.5 112.478 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.75 -159.84 36.76 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.775 -0.726 . . . . 2.96 112.64 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -42.06 2.05 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.534 2.156 . . . . 4.5 112.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.73 156.42 26.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 3.36 111.032 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.63 10.74 39.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 5.04 111.148 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.07 126.22 7.98 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.762 -0.732 . . . . 2.03 112.527 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 t -94.02 133.53 37.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 2.23 111.253 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 83.2 m-85 -113.17 140.21 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 3.57 110.686 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -101.53 140.25 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 4.36 110.797 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD22 HD23 ' A' ' 79' ' ' LEU . 4.0 pp -82.94 142.11 31.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.464 -0.335 . . . . 3.01 110.675 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.661 HG23 ' HG3' ' A' ' 92' ' ' GLN . 4.4 mp -116.38 -73.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.486 -0.325 . . . . 2.89 111.36 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.661 ' HG3' HG23 ' A' ' 91' ' ' ILE . 44.9 mt-30 -150.69 157.57 43.12 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.647 0.26 . . . . 3.0 111.013 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 27.8 p90 -138.76 148.84 44.35 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.993 0.425 . . . . 1.76 110.894 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -128.08 168.19 15.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.36 110.761 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -111.29 158.25 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 3.9 111.185 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -116.7 168.96 9.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 2.17 110.735 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.408 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 62.3 t-105 -172.14 92.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 6.63 110.24 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.9 161.74 0.93 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.994 -0.622 . . . . 3.04 112.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.429 ' HB3' ' H ' ' A' ' 242' ' ' ASP . 89.1 p -72.64 -18.25 61.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 4.64 110.933 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.94 146.21 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 5.7 110.615 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.97 26.87 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 5.38 110.708 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.93 -44.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 4.71 112.601 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -158.81 169.8 23.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.885 0.374 . . . . 5.24 111.108 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.07 89.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.918 -0.658 . . . . 2.08 112.535 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -158.08 172.84 17.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.674 0.273 . . . . 2.22 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 245' ' ' ARG . 43.5 mt-10 -75.96 -86.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.49 -0.323 . . . . 2.64 111.391 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -70.85 169.55 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 2.79 111.213 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 43.5 m -143.78 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 2.38 110.892 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.03 153.61 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 2.7 111.305 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.8 t70 55.63 27.85 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.793 -0.64 . . . . 2.18 110.843 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm 57.83 16.22 3.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 3.86 111.369 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -118.64 127.13 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 4.34 110.541 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -94.38 155.65 16.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 3.01 110.819 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.86 153.0 23.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 2.48 110.869 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.78 23.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.355 -0.384 . . . . 2.1 111.417 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.88 152.87 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.99 110.561 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.55 137.37 17.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 2.4 111.841 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.1 mt -86.76 147.85 25.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 2.52 110.354 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -127.58 97.04 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 1.93 111.491 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 70.1 tp -93.46 123.82 37.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.404 . . . . 2.98 110.597 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.23 146.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.815 0.341 . . . . 2.44 111.389 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.607 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 69.4 m-70 -129.71 163.19 26.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 3.2 110.861 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -171.44 120.58 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 4.68 110.771 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -57.1 123.25 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 2.56 111.033 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -84.9 -15.18 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 2.19 111.555 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -56.38 -27.26 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 4.02 110.91 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -78.13 -28.73 48.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 4.5 110.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.11 -46.76 3.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 2.38 112.737 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.09 157.54 46.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 3.07 110.904 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.451 ' HA ' ' HB1' ' A' ' 133' ' ' ALA . 48.7 p90 -63.88 -19.61 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 3.61 111.135 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.24 -49.11 78.96 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.655 -0.784 . . . . 2.51 112.622 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -21.3 23.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 4.04 110.78 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 130' ' ' PHE . . . -67.24 -41.19 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 2.12 111.223 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 130' ' ' PHE . 24.3 m -65.16 -9.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 2.79 111.588 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 4.15 110.747 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.565 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 29.6 tt0 -79.12 135.64 58.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 3.37 110.39 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.8 -18.06 15.21 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.625 2.217 . . . . 2.89 112.801 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.565 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 32.3 t70 -117.61 -12.76 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.574 -0.285 . . . . 2.64 111.314 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.33 -102.69 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.944 -0.646 . . . . 1.75 112.737 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -102.58 166.99 10.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.65 0.262 . . . . 2.23 110.578 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -116.24 149.75 38.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 1.5 111.121 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.475 HG22 HG13 ' A' ' 206' ' ' VAL . 46.6 t -122.34 111.6 31.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 1.88 111.356 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 212' ' ' LYS . 52.5 tp -88.94 108.8 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 2.67 110.686 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -88.53 110.38 3.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 1.4 112.598 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 68.1 mt -100.16 139.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 2.06 110.983 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -117.37 135.05 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 5.19 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 90.8 mt -101.94 140.32 36.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 3.73 111.14 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -118.92 134.99 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 4.63 110.731 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.88 147.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 3.58 110.85 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.35 141.65 12.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.813 -0.708 . . . . 3.15 112.345 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.3 t 61.25 72.44 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 4.35 110.405 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . -62.72 -169.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 4.28 111.712 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.564 ' HD3' ' HB2' ' A' ' 156' ' ' LEU . 16.7 ptpt -59.3 153.61 46.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.762 -0.654 . . . . 5.57 111.277 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.76 -12.22 35.07 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.682 2.255 . . . . 3.3 112.159 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 137.48 62.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 2.71 112.693 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.564 ' HB2' ' HD3' ' A' ' 153' ' ' LYS . 64.5 mt -121.25 27.53 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 4.34 110.626 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.64 -21.54 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.878 -0.601 . . . . 4.04 111.566 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -56.74 -32.27 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 5.16 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 41.4 t -73.06 -29.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 3.48 111.05 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.405 HG12 ' HD2' ' A' ' 225' ' ' PHE . 58.6 t -64.67 -20.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 3.6 111.072 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.95 -19.94 31.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 3.01 110.984 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.27 -57.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 3.02 111.414 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 2.72 110.955 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 167' ' ' LYS . 17.4 t70 -49.6 -19.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.807 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.4 t -88.24 -43.56 11.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.735 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.0 pt -93.81 50.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 3.02 111.361 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 164' ' ' ASP . 32.6 mmmt -59.54 -48.85 80.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 4.14 110.993 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 75.3 p -70.37 143.79 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 2.82 111.002 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.556 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.63 148.18 30.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 3.97 110.98 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.79 -26.5 10.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.014 -0.612 . . . . 2.38 112.365 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -104.46 176.48 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 3.72 110.808 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.5 p -149.51 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 2.54 110.943 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -125.65 135.03 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.568 . . . . 2.36 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.85 117.51 29.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.457 -0.338 . . . . 3.74 111.018 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.17 111.9 10.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 5.29 110.649 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.478 ' HG1' ' H ' ' A' ' 177' ' ' ASN . 10.6 t -109.22 177.74 4.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 5.01 110.939 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . 0.478 ' H ' ' HG1' ' A' ' 176' ' ' THR . 21.3 t-20 60.11 57.2 3.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 7.01 110.959 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . 0.47 ' H ' HG21 ' A' ' 55' ' ' THR . 53.6 t80 -88.6 136.16 33.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.572 . . . . 5.44 110.556 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . 0.57 ' HB3' ' HG2' ' A' ' 181' ' ' ARG . 12.3 m-20 -68.59 111.13 7.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.351 -0.386 . . . . 3.92 111.032 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.7 -10.29 28.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.575 2.183 . . . . 5.03 112.262 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . 0.57 ' HG2' ' HB3' ' A' ' 179' ' ' ASP . 15.6 ptp180 -70.31 -28.31 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 9.4 110.632 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -68.02 -9.44 56.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 3.43 112.277 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.24 -13.89 19.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 6.25 110.745 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.4 ' HG ' ' HA ' ' A' ' 181' ' ' ARG . 90.4 mt -56.1 125.98 65.68 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 5.0 110.906 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.97 140.01 19.87 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.469 2.113 . . . . 4.45 112.458 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.74 -22.17 56.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 6.38 110.804 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 79.9 p -157.06 150.53 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 5.39 110.834 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.03 126.35 52.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.299 -0.409 . . . . 4.68 110.689 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.567 ' HB3' HD21 ' A' ' 211' ' ' LEU . 8.4 m-20 -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 3.78 110.871 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -142.58 143.14 32.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.375 . . . . 3.57 110.619 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.61 ' HB2' HD22 ' A' ' 211' ' ' LEU . 10.0 t-105 -172.25 120.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 4.84 110.598 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 5.7 t -119.35 147.92 43.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 2.03 110.802 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -167.45 86.72 0.77 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.43 -0.35 . . . . 3.02 111.14 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.475 ' HA ' HG22 ' A' ' 207' ' ' THR . 52.8 Cg_endo -69.6 128.35 16.04 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.32 2.014 . . . . 1.7 112.004 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.73 -160.98 10.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.496 -0.859 . . . . 1.85 112.858 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 2.97 110.516 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 204' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.326 . . . . 5.45 110.779 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . 0.558 ' H ' HD12 ' A' ' 203' ' ' LEU . 34.0 tt0 -77.91 84.71 4.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 3.98 110.773 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.62 24.14 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 3.13 110.53 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . 0.475 HG13 HG22 ' A' ' 142' ' ' VAL . 8.2 t -116.43 113.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 2.42 111.194 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 194' ' ' PRO . 32.7 m -113.19 149.08 34.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.8 111.036 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -106.18 114.77 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 3.11 111.063 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' ' 212' ' ' LYS . 3.5 mp -126.3 136.7 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 2.13 110.384 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . 0.503 HG13 HD11 ' A' ' 211' ' ' LEU . 2.4 t -136.32 168.44 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 2.73 111.36 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 191' ' ' TRP . 11.0 mp 67.68 9.52 7.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.911 -0.586 . . . . 4.37 111.346 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.496 ' HB3' HD13 ' A' ' 143' ' ' LEU . 24.0 ttmm -82.5 -43.5 17.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 6.2 110.532 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 77.38 4.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 5.91 110.37 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 159.5 27.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.888 2.392 . . . . 4.22 112.426 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 48.7 mm -124.9 137.62 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 4.88 110.868 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 25.4 t -100.93 114.4 28.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 3.8 111.296 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.49 141.22 18.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.164 -0.471 . . . . 3.0 110.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 152' ' ' ALA . 40.7 t -106.06 148.24 28.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.865 0.364 . . . . 3.66 110.992 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.46 ' HA ' HG23 ' A' ' 222' ' ' VAL . 90.7 p -80.22 -18.4 49.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 3.12 111.243 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.69 -25.83 37.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 4.51 110.669 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -88.04 -24.8 23.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 4.63 111.297 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.574 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 30.1 m -102.14 24.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.381 . . . . 2.92 111.195 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.43 -37.17 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 3.21 110.722 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.91 -14.81 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 4.23 110.771 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 87.5 t80 -80.05 -35.47 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 4.01 111.02 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 222' ' ' VAL . 36.0 mmt180 -73.92 -0.07 14.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 5.4 111.347 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . 0.673 ' HB3' ' HZ2' ' A' ' 227' ' ' LYS . 9.6 mtpm? -72.76 -7.96 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.434 -0.348 . . . . 3.8 111.384 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.12 162.23 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 3.46 111.363 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.13 166.87 21.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.039 -0.528 . . . . 3.16 111.402 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -100.41 -0.95 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.964 -0.562 . . . . 6.2 110.953 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 CA--C 1.53 0.196 0 CA-C-N 116.295 -0.411 . . . . 4.89 110.681 -179.304 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.707 0.289 . . . . 5.59 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 240' ' ' MET . 0.0 OUTLIER -53.87 130.95 38.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 5.6 110.768 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 22.8 m -144.38 -175.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 3.98 111.46 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' A' ' 99' ' ' SER . 46.3 m-20 68.44 41.7 1.73 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 3.67 110.97 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.408 ' HB2' ' C ' ' A' ' 97' ' ' TRP . 30.9 m-20 -118.44 29.71 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.58 . . . . 4.18 110.702 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -103.5 159.79 15.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 3.85 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.618 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 18.5 tpt180 -141.03 141.63 24.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 4.15 110.92 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' A' ' 245' ' ' ARG . 46.6 Cg_exo -56.69 172.4 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.263 1.975 . . . . 2.75 112.116 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.07 45.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 3.18 111.13 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -55.19 135.41 68.53 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 5.96 110.838 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.99 124.52 9.67 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.418 2.079 . . . . 4.47 112.558 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 64.9 tp -79.94 -31.89 40.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 4.44 110.856 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 66.07 13.44 9.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.695 -0.684 . . . . 7.2 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -147.7 171.45 15.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.327 -0.397 . . . . 5.62 111.214 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 66.78 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.789 -0.641 . . . . 6.22 111.491 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -106.36 166.05 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 3.56 110.619 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.481 ' N ' HD11 ' A' ' 255' ' ' ILE . 3.8 mp -106.94 144.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.34 -0.391 . . . . 2.59 110.645 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -116.18 91.73 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 3.38 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -110.94 169.78 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 1.68 111.072 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . 41.9 t -77.2 -15.43 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 2.4 110.483 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -111.69 147.67 35.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.629 . . . . 3.83 110.599 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' A' ' 40' ' ' TYR . 68.6 mttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.252 -0.88 . . . . 4.92 111.255 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.552 0.215 . . . . 3.85 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.84 125.28 5.98 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.651 2.234 . . . . 3.29 112.228 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.583 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.7 p -137.04 176.5 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.254 -0.43 . . . . 2.72 110.604 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 31' ' ' VAL . 35.4 m-20 -89.52 98.61 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 2.44 110.662 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 3.4 mp -82.7 140.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.95 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' HG23 ' A' ' 37' ' ' THR . 4.5 m-20 -108.73 129.42 55.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 1.53 110.662 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -67.3 -10.06 47.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 2.28 110.634 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -90.43 -40.85 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.65 . . . . 4.16 110.969 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 34' ' ' ASP . 13.9 t -74.06 -21.79 59.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 2.26 110.969 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.08 129.82 43.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 1.59 110.897 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.21 151.54 23.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 4.1 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' HB3' ' HB3' ' A' ' 260' ' ' LYS . 38.4 p90 -90.49 131.79 36.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 4.34 110.785 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.03 100.32 19.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 3.04 111.113 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.79 21.88 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.45 2.1 . . . . 2.51 112.749 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -68.49 -45.51 72.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.458 -0.337 . . . . 3.54 110.732 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.17 96.4 6.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 3.49 110.617 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -108.48 149.72 39.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 4.66 111.212 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.88 126.49 18.99 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.332 2.022 . . . . 2.89 111.665 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.9 tp -139.79 -62.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 5.61 111.576 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.407 ' HG ' ' HD3' ' A' ' 80' ' ' LYS . 78.3 p -129.9 120.31 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 3.01 111.37 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.72 135.82 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 2.88 110.778 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.508 ' HB2' HG12 ' A' ' 78' ' ' VAL . 51.1 m -113.41 144.11 43.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 2.94 110.952 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -175.04 34.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.991 -0.549 . . . . 5.23 110.919 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -89.76 -25.41 21.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 4.17 110.21 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -101.08 -3.91 28.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 5.15 110.679 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -50.53 120.22 4.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.345 -0.389 . . . . 2.19 110.741 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.0 m -159.85 144.05 14.67 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.345 . . . . 2.31 111.538 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -87.14 163.6 16.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 2.24 110.412 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.23 -39.33 2.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.608 -0.269 . . . . 4.0 111.681 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' HG3' ' HA ' ' A' ' 174' ' ' ASP . 40.9 ttp180 -173.37 152.2 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.871 0.367 . . . . 5.17 111.385 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.44 HG12 HG11 ' A' ' 68' ' ' VAL . 35.9 mt -112.72 104.43 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 2.2 110.631 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.511 HD23 ' HE ' ' A' ' 58' ' ' ARG . 2.9 mm? -99.87 153.31 19.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 3.06 111.153 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.99 161.44 20.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 2.16 110.522 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -106.55 23.68 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 3.54 111.683 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 14.34 73.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.31 -0.948 . . . . 2.67 112.002 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.07 -55.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.711 0.291 . . . . 5.03 110.776 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.89 163.48 16.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.245 -0.434 . . . . 2.49 110.804 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -120.34 133.47 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 3.96 111.193 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -133.67 153.26 51.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.103 -0.499 . . . . 3.14 110.652 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG11 HG12 ' A' ' 59' ' ' ILE . 3.6 m -115.58 108.65 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 2.51 111.442 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.94 145.31 27.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 3.84 111.166 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.36 172.15 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 4.98 110.882 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.03 107.77 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 3.04 111.056 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -107.3 3.43 25.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 3.88 110.648 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 -44.28 83.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.039 -0.528 . . . . 3.52 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -127.42 -166.16 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 4.49 110.88 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -58.49 138.92 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 2.84 110.867 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.717 ' HZ2' ' HB3' ' A' ' 76' ' ' LYS . 7.1 ttpm? -142.58 -76.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 3.74 111.13 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' A' ' 54' ' ' ALA . . . -156.54 122.39 4.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 1.97 111.332 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 50' ' ' SER . 11.5 p -117.42 152.05 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 2.27 110.855 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -133.89 132.61 40.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 2.78 111.361 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 87' ' ' THR . 14.8 ptmm? -159.38 150.6 19.94 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.312 -0.404 . . . . 3.11 110.559 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.63 156.35 26.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.582 -0.818 . . . . 2.5 112.754 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.9 -158.28 6.53 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.748 -0.739 . . . . 2.96 112.628 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.12 2.1 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.481 2.12 . . . . 4.5 112.16 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 112.82 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 3.36 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.42 -15.37 37.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 5.04 110.778 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.91 83.67 1.52 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.902 -0.666 . . . . 2.03 112.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 80' ' ' LYS . 40.1 p -68.25 156.07 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 2.23 111.404 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.98 128.62 46.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 3.57 110.722 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -103.32 153.88 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 4.36 111.157 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 90' ' ' LEU . 6.8 mp -90.0 122.72 33.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.289 -0.414 . . . . 3.01 110.342 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -98.86 -70.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.549 -0.296 . . . . 2.89 111.411 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.428 ' HG2' HG23 ' A' ' 91' ' ' ILE . 3.9 pt20 -159.17 169.67 23.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.599 -0.273 . . . . 3.0 111.012 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 37.7 p90 -158.14 162.3 37.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 1.76 111.268 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.533 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.9 p-80 -135.86 163.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 1.36 110.48 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -111.41 145.6 38.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.866 0.365 . . . . 3.9 111.574 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -104.07 160.73 14.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.051 -0.522 . . . . 2.17 110.204 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.42 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 97.2 m95 -144.15 89.9 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 6.63 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.509 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -52.47 164.08 1.7 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.026 -0.607 . . . . 3.04 112.677 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.474 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 44.0 t -82.83 -28.73 29.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 4.64 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.1 137.97 31.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 5.7 110.919 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.45 20.54 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 5.38 110.668 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.01 -40.4 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.824 -0.703 . . . . 4.71 112.369 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -166.43 172.05 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 5.24 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 2.08 112.451 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.6 p -152.18 147.81 26.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 2.22 110.989 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.4 124.88 24.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 2.64 110.732 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 60.92 173.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 2.79 110.885 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' ' 32' ' ' ASP . 1.1 t -164.68 120.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 2.38 111.315 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 34.5 m -102.92 159.3 4.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.411 . . . . 2.7 111.68 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 t70 56.15 30.72 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.664 . . . . 2.18 111.016 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 55.61 24.85 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 3.86 111.401 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -126.19 116.93 22.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 4.34 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HZ2' ' HB2' ' A' ' 247' ' ' ALA . 40.8 ttmt -102.99 152.35 21.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 3.01 110.962 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.14 164.79 11.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.48 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.0 -14.26 58.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.089 -0.505 . . . . 2.1 111.536 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.81 169.47 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 1.99 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -152.69 147.8 26.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 2.4 110.79 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 148.12 23.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 2.52 110.93 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.533 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.8 m170 -107.2 108.92 20.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 1.93 111.285 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 3.0 mp -102.4 143.64 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.734 0.302 . . . . 2.98 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.0 140.71 34.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 2.44 111.496 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 15.2 m-70 -127.31 156.83 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 3.2 110.261 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.467 ' HE1' ' HB1' ' A' ' 133' ' ' ALA . 27.8 t90 -165.03 134.76 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.084 0.469 . . . . 4.68 111.153 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -78.68 128.18 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 2.56 110.76 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.1 t -73.44 -15.02 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.19 111.804 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -54.91 -25.44 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 4.02 111.201 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.68 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 95.2 m-85 -85.95 -30.03 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 4.5 111.194 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.13 -24.6 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 2.38 112.75 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.2 m-20 -142.33 163.58 32.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.882 0.372 . . . . 3.07 111.221 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -23.23 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 3.61 110.998 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.05 -27.61 72.78 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.602 -0.809 . . . . 2.51 112.367 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -90.06 -32.7 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 4.04 110.738 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB1' ' HE1' ' A' ' 123' ' ' TRP . . . -62.74 -42.57 99.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 2.12 111.148 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.71 -13.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.923 -0.58 . . . . 2.79 111.629 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.545 ' HA ' HE21 ' A' ' 135' ' ' GLN . 0.1 OUTLIER -72.26 -10.37 59.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 4.15 110.734 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.549 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 33.3 tt0 -135.3 130.97 19.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 3.37 110.669 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 37.4 Cg_exo -61.2 -24.09 78.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.603 2.202 . . . . 2.89 112.189 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.549 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 6.2 m-20 -100.34 10.77 40.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 2.64 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.68 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -57.77 -55.33 31.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 1.75 112.858 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 122' ' ' HIS . 0.7 OUTLIER -126.96 155.76 42.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 2.23 110.634 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.2 165.26 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 1.5 111.281 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 209' ' ' ILE . 60.0 t -125.16 108.26 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 1.88 110.753 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.456 HD22 HD21 ' A' ' 120' ' ' LEU . 61.6 tp -85.47 141.61 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 2.67 111.322 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.87 128.57 5.71 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.815 -0.629 . . . . 1.4 112.25 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 51.3 mt -130.55 140.67 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.3 . . . . 2.06 111.044 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.74 175.98 7.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 5.19 110.753 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.69 176.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 3.73 111.104 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -128.07 143.39 51.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 4.63 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.03 122.56 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 3.58 110.782 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 218' ' ' SER . . . -53.97 107.22 0.6 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.041 -0.6 . . . . 3.15 113.008 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.1 p -172.22 42.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.767 0.318 . . . . 4.35 111.21 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 217' ' ' VAL . . . -84.86 -164.87 1.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.409 -0.36 . . . . 4.28 111.073 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.69 155.97 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 5.57 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -78.24 -2.63 12.69 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.45 2.1 . . . . 3.3 111.867 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -122.73 29.05 5.52 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.878 -0.677 . . . . 2.71 112.615 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 221' ' ' GLN . 19.1 tp -72.67 6.96 2.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 4.34 110.946 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -53.69 -22.72 9.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 4.04 110.959 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -54.24 -36.33 63.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.515 . . . . 5.16 111.022 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 36.6 t -84.5 -28.56 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 3.48 111.333 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.38 -28.63 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 3.6 111.049 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -85.07 -27.86 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 3.01 110.876 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.1 t -60.5 -43.83 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 3.02 111.221 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -30.43 71.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 2.72 111.09 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.53 -12.48 22.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 2.42 110.642 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.9 t -86.4 -30.89 21.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 2.22 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 2.9 mp -108.67 51.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 3.02 110.735 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -50.95 -41.96 59.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 4.14 110.625 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.7 p -128.15 148.88 50.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 2.82 111.081 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.7 OUTLIER -65.73 148.14 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 3.97 111.14 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.6 -20.89 19.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.961 -0.637 . . . . 2.38 112.435 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -93.71 175.73 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 3.72 110.807 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 79.7 p -126.59 163.07 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 2.54 111.031 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -163.0 124.55 2.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 2.36 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . 0.512 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 7.9 m-20 -69.07 143.03 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 3.74 111.089 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -156.05 108.42 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 5.29 110.645 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 12.9 t -130.66 -177.37 4.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 5.01 110.95 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.03 50.32 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 7.01 111.09 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -112.58 142.15 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 5.44 110.688 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -143.15 91.75 6.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 3.92 111.292 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.76 -48.45 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.279 1.986 . . . . 5.03 112.31 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.02 -7.32 49.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 9.4 111.093 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.55 29.93 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.786 -0.721 . . . . 3.43 112.577 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.59 -20.27 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.658 0.266 . . . . 6.25 111.004 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 90.8 mt -73.8 137.36 76.76 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.47 -0.332 . . . . 5.0 110.809 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 25.3 Cg_exo -62.58 132.78 39.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.46 2.107 . . . . 4.45 112.406 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -20.32 42.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.465 . . . . 6.38 111.135 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.0 m -107.09 89.83 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 5.39 111.026 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.483 HD23 ' HZ3' ' A' ' 212' ' ' LYS . 11.3 mt -154.07 169.37 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 4.68 111.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 12.3 m-20 -76.11 167.34 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 3.78 110.594 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -142.1 175.61 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 3.57 110.886 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.516 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.2 m-90 -140.71 140.57 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 4.84 110.07 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.5 t -138.26 163.82 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 2.03 111.559 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -159.88 87.13 1.99 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 3.02 110.635 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.546 ' HA ' HG21 ' A' ' 207' ' ' THR . 53.5 Cg_exo -53.67 129.55 34.49 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.485 2.123 . . . . 1.7 112.422 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 162.84 -157.0 28.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.861 -0.685 . . . . 1.85 112.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 2.97 110.84 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.703 0.287 . . . . 5.45 110.73 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.21 17.67 6.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.373 0.606 . . . . 3.98 109.837 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 79.3 m -93.08 19.45 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.378 -0.828 . . . . 3.13 110.74 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.39 115.31 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 2.42 111.512 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.546 HG21 ' HA ' ' A' ' 194' ' ' PRO . 35.3 m -112.97 140.81 47.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 1.8 110.268 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -91.23 108.69 20.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.84 0.352 . . . . 3.11 110.979 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 142' ' ' VAL . 0.3 OUTLIER -101.62 160.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 2.13 110.539 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 43.8 t -133.41 103.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.73 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.13 162.09 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 4.37 110.594 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.483 ' HZ3' HD23 ' A' ' 188' ' ' LEU . 22.6 tptm -62.41 -55.15 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 6.2 110.995 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.16 149.99 26.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 5.91 110.87 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.73 170.17 20.94 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.632 2.221 . . . . 4.22 112.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . 0.446 ' H ' HD13 ' A' ' 215' ' ' ILE . 4.5 mp -73.52 134.85 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.247 -0.433 . . . . 4.88 110.665 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 78.7 p -68.29 104.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 3.8 111.421 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.504 ' HA ' ' HB1' ' A' ' 152' ' ' ALA . 57.9 t -133.24 136.69 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 3.0 110.59 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.443 ' HB2' ' HG2' ' A' ' 221' ' ' GLN . 74.0 m -73.06 147.84 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 3.66 110.926 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.3 p -80.98 -22.49 39.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 3.12 111.583 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.94 -26.66 57.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 4.51 111.029 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . 0.517 ' HG3' HD23 ' A' ' 156' ' ' LEU . 24.5 mm-40 -75.93 -26.47 56.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 4.63 110.834 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 27.1 m -96.59 -3.29 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 2.92 111.224 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.23 -40.59 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 3.21 110.09 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -76.03 -23.48 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 4.23 110.376 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -69.05 -23.27 64.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 4.01 110.8 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -77.02 -10.87 59.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 5.4 111.162 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -74.53 -5.66 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 3.8 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.39 162.44 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 3.46 110.989 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -110.89 147.0 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 3.16 110.787 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -52.05 -40.61 61.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 6.2 110.292 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 4.89 110.854 179.26 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.579 0.228 . . . . 5.59 110.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 52.7 ttp -67.96 80.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 5.6 110.714 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 29.8 m -141.73 -171.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.901 -0.59 . . . . 3.98 111.185 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 73.29 48.19 0.17 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.031 -0.532 . . . . 3.67 110.957 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.509 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 37.6 m-80 -129.81 37.13 3.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 4.18 110.923 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -105.47 155.46 19.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 3.85 110.84 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 35.7 mmt180 -139.27 131.55 15.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 4.15 111.368 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 15.5 Cg_exo -68.33 173.09 10.15 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.557 2.171 . . . . 2.75 111.877 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . 0.407 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . . . -166.76 41.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.376 . . . . 3.18 111.171 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.21 145.2 57.64 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.465 . . . . 5.96 110.87 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -83.24 123.62 3.53 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.448 2.098 . . . . 4.47 112.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.03 -49.1 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 4.44 110.846 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -173.13 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 7.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -151.5 170.32 19.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 5.62 110.844 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -169.85 138.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 6.22 111.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -104.03 119.5 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 3.56 110.54 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.425 ' N ' HD13 ' A' ' 255' ' ' ILE . 4.1 mp -109.11 123.84 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.395 -0.366 . . . . 2.59 111.189 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -97.97 100.8 12.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 3.38 110.737 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -113.29 168.62 9.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.425 . . . . 1.68 111.311 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 30.1 t -69.48 -37.16 77.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 2.4 110.432 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 87.5 t80 -112.01 144.45 41.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 3.83 110.902 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 40' ' ' TYR . 15.3 ptpt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.143 -0.932 . . . . 4.92 111.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.481 0.182 . . . . 3.85 110.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HB2' ' O ' ' A' ' 246' ' ' PRO . 43.1 Cg_exo -56.51 129.31 34.02 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.461 2.107 . . . . 3.29 112.154 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 32' ' ' ASP . 20.2 t -120.44 165.65 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.157 -0.474 . . . . 2.72 110.631 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 31' ' ' VAL . 18.8 t70 -86.6 98.64 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 2.44 110.856 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.53 ' HB ' HG12 ' A' ' 109' ' ' VAL . 2.5 mp -83.17 142.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.95 110.88 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HB2' HG21 ' A' ' 37' ' ' THR . 11.8 m-20 -113.11 129.45 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 1.53 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -69.47 -8.91 51.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 2.28 111.236 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -89.96 -40.86 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 4.16 110.997 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.519 HG21 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -74.12 -17.08 60.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.303 -0.408 . . . . 2.26 110.978 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 157.53 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 1.59 110.886 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -133.12 147.93 52.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.864 0.364 . . . . 4.1 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.528 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 84.2 t80 -74.54 98.87 3.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.536 . . . . 4.34 110.644 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 102.76 49.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 3.04 111.023 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.84 20.69 0.86 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.383 2.055 . . . . 2.51 112.394 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.2 p -59.48 -45.88 90.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.398 -0.365 . . . . 3.54 110.802 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -119.18 99.11 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 3.49 110.541 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.15 147.51 35.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 4.66 110.47 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.16 125.65 19.6 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.182 1.922 . . . . 2.89 111.563 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.0 tp -117.25 -57.68 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.501 -0.318 . . . . 5.61 110.982 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.9 p -135.31 142.03 45.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.432 -0.349 . . . . 3.01 111.221 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -151.87 114.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.037 -0.529 . . . . 2.88 111.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -109.26 146.57 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 2.94 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -176.3 34.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 5.23 110.781 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -91.97 -21.92 20.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 4.17 110.861 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -108.59 -0.52 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 5.15 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.83 120.71 6.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 2.19 110.966 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -146.25 143.37 29.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.962 0.41 . . . . 2.31 111.717 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.1 p -99.75 165.05 11.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.956 -0.565 . . . . 2.24 110.572 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 71' ' ' ASP . 4.2 mm? -111.29 -39.42 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 4.0 111.649 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -178.06 167.81 2.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 5.17 111.43 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 tt -124.83 123.61 66.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.874 -0.603 . . . . 2.2 110.624 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -113.22 150.56 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 3.06 111.178 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' ND2' HG22 ' A' ' 166' ' ' ILE . 19.8 m-80 -116.92 148.84 41.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.015 -0.538 . . . . 2.16 110.495 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -106.84 23.27 14.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.362 -0.381 . . . . 3.54 111.501 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.95 14.4 62.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.313 -0.946 . . . . 2.67 112.45 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 56.1 t60 -176.05 -61.78 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.747 0.308 . . . . 5.03 110.893 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.6 149.48 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 2.49 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -123.68 135.14 53.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 3.96 111.142 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -130.24 148.43 52.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 3.14 110.717 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -96.48 145.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 2.51 110.785 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.609 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 43.1 tt0 -120.34 117.42 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 3.84 111.064 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.89 171.21 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 4.98 110.571 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' HB2' HD22 ' A' ' 57' ' ' LEU . 22.6 t70 -72.88 122.2 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 3.04 110.636 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.94 -11.78 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 3.88 110.711 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.5 t -64.26 -24.15 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 3.52 111.058 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -152.6 154.09 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 4.49 110.769 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.95 121.98 31.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.252 -0.431 . . . . 2.84 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 4.1 mptp? -94.79 -76.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 3.74 111.087 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.74 135.27 36.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 1.97 111.213 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.14 156.0 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 2.27 110.748 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.93 155.73 46.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 2.78 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -159.37 140.46 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 3.11 110.819 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.44 176.96 50.14 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.803 -0.713 . . . . 2.5 112.385 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.12 -77.39 0.18 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.543 -0.837 . . . . 2.96 112.417 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.28 -7.31 17.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.458 2.106 . . . . 4.5 112.11 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.45 115.59 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 3.36 110.754 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -102.16 49.78 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.057 0.456 . . . . 5.04 110.731 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.7 85.71 0.23 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.906 -0.664 . . . . 2.03 112.422 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -55.68 152.66 9.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.653 0.263 . . . . 2.23 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 81.8 m-85 -125.12 131.38 53.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 3.57 111.33 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -103.77 129.84 51.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 4.36 110.792 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.595 ' HB2' HD13 ' A' ' 120' ' ' LEU . 2.0 pt? -84.15 142.32 30.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.649 0.261 . . . . 3.01 110.361 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.562 HG23 ' HG3' ' A' ' 92' ' ' GLN . 4.1 mp -111.84 -71.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 111.896 0.332 . . . . 2.89 111.896 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.609 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 52.2 mt-30 -149.16 166.7 28.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.573 0.225 . . . . 3.0 111.054 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -158.3 154.74 27.62 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.237 0.541 . . . . 1.76 111.81 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -129.78 169.87 14.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.36 -0.836 . . . . 1.36 110.098 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -109.91 138.06 46.82 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.032 0.444 . . . . 3.9 112.063 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -95.2 164.05 13.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.798 -0.637 . . . . 2.17 109.631 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -142.8 145.17 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 6.63 111.248 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -118.4 161.88 13.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.23 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 t -68.9 -30.83 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 4.64 110.817 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.77 141.41 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 5.7 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.49 5.33 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 5.38 111.089 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.68 -15.65 4.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 4.71 112.471 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 113' ' ' LYS . 21.8 pt20 -164.58 164.9 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 5.24 111.112 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.33 85.2 0.55 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.899 -0.667 . . . . 2.08 112.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.0 t -155.18 -79.55 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.67 0.271 . . . . 2.22 111.053 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 47.6 mt-10 -148.26 -99.9 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.425 -0.352 . . . . 2.64 111.85 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.97 176.33 2.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.94 0.4 . . . . 2.79 111.579 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 113' ' ' LYS . 95.9 m -141.79 86.06 1.97 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.941 -0.572 . . . . 2.38 110.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.53 HG12 ' HB ' ' A' ' 33' ' ' ILE . 19.8 m -89.32 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 2.7 111.165 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.87 35.39 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 2.18 110.592 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.9 mttp 58.82 14.64 3.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 3.86 111.015 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -124.3 116.46 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 4.34 110.623 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.523 ' N ' HG22 ' A' ' 108' ' ' THR . 40.1 ttmt -71.67 144.65 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 3.01 111.303 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.495 ' HH ' HG23 ' A' ' 109' ' ' VAL . 69.6 m-85 -70.0 137.7 51.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 2.48 109.987 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.96 -25.2 37.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 2.1 111.287 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.5 145.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 1.99 110.603 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -143.96 155.22 43.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 2.4 111.085 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.61 140.52 33.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 2.52 110.943 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 94.97 8.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 1.93 109.891 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 90' ' ' LEU . 41.2 tp -107.41 103.38 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 2.98 110.714 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.09 115.35 32.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 2.44 111.019 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.536 ' NE2' ' HG ' ' A' ' 143' ' ' LEU . 7.7 p80 -131.6 143.56 50.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.983 -0.553 . . . . 3.2 110.264 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -147.57 171.7 15.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.398 . . . . 4.68 111.275 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.4 HD21 ' HE2' ' A' ' 126' ' ' LYS . 2.3 m-20 -54.33 112.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 2.56 110.814 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -78.92 -15.02 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 2.19 111.631 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.4 ' HE2' HD21 ' A' ' 124' ' ' ASN . 56.7 pttt -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 4.02 111.036 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.402 ' HB3' ' HB2' ' A' ' 132' ' ' LYS . 56.0 m-85 -81.9 -29.13 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 4.5 110.849 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.95 56.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 2.38 112.347 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.93 143.8 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 3.07 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -75.02 -28.8 60.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 3.61 110.663 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.31 -22.28 70.95 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 2.51 112.052 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 127' ' ' TYR . 46.6 mmtm -90.5 -38.57 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 4.04 110.72 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 2.12 111.83 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.2 m -70.63 2.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 2.79 111.824 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -72.22 -13.77 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 4.15 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.44 155.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.008 -0.542 . . . . 3.37 110.505 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.04 -16.39 32.57 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.53 2.153 . . . . 2.89 112.135 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -115.26 -12.68 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 2.64 110.838 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.17 -95.27 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.04 -0.6 . . . . 1.75 112.52 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.43 163.38 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.656 0.265 . . . . 2.23 110.355 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 209' ' ' ILE . . . -122.74 164.91 17.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.923 0.392 . . . . 1.5 111.529 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.62 145.06 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 1.88 110.499 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.536 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 74.0 mt -104.44 144.12 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 2.67 111.061 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -98.98 116.49 5.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 1.4 112.367 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.404 HD13 HD13 ' A' ' 211' ' ' LEU . 32.5 mm -124.2 144.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.398 0.142 . . . . 2.06 111.093 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.4 t80 79.84 -61.25 0.3 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.735 0.647 . . . . 5.19 110.65 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.8 mt 55.93 -88.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 3.73 111.994 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.39 158.45 21.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.63 110.692 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.9 153.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 3.58 111.089 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.58 141.64 4.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 3.15 112.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.6 m 58.51 75.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 4.35 110.715 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 217' ' ' VAL . . . -61.03 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.058 -0.519 . . . . 4.28 111.684 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 19.4 pttm -56.38 136.06 76.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 5.57 111.362 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 7.9 Cg_exo -73.1 11.15 0.97 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.688 2.259 . . . . 3.3 111.94 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 153' ' ' LYS . . . 130.16 64.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.067 -0.587 . . . . 2.71 112.11 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 159' ' ' VAL . 80.9 mt -129.36 26.68 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 4.34 110.923 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -54.67 -21.42 10.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 4.04 111.368 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.673 ' HZ1' ' HB3' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -58.07 -33.1 68.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 5.16 111.112 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 156' ' ' LEU . 5.9 p -65.88 -25.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.369 -0.378 . . . . 3.48 110.866 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.75 -26.35 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 3.6 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.97 -54.75 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 3.01 110.467 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.91 -27.07 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 3.02 110.807 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -32.34 71.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 2.72 110.939 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.65 -12.55 4.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 2.42 110.784 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -69.92 -7.05 37.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.125 -0.489 . . . . 2.22 111.04 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.506 HG22 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -125.05 51.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 3.02 110.551 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.432 ' HD2' HD12 ' A' ' 228' ' ' LEU . 58.8 tptt -50.52 -42.29 54.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.973 -0.558 . . . . 4.14 110.648 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 73.0 p -105.27 144.88 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 2.82 110.74 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -79.68 143.45 34.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.961 0.41 . . . . 3.97 111.026 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -10.02 26.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.958 -0.639 . . . . 2.38 112.694 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -95.51 175.83 6.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.785 0.326 . . . . 3.72 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 83.9 p -122.88 165.94 15.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.514 . . . . 2.54 110.993 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.21 148.87 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 2.36 110.885 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.61 148.42 25.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 3.74 111.079 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -156.25 105.43 2.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 5.29 110.955 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.7 t -123.75 -179.96 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 5.01 110.863 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.3 m120 61.2 56.83 2.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.183 -0.462 . . . . 7.01 110.983 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.95 146.56 54.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 5.44 110.626 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.76 113.15 54.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 3.92 110.971 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.12 -9.93 17.85 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.073 . . . . 5.03 112.7 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -74.46 -14.47 60.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.371 . . . . 9.4 110.756 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -83.95 -3.78 88.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.651 -0.785 . . . . 3.43 112.343 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 79.6 mt -114.59 11.92 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.587 0.232 . . . . 6.25 111.027 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.7 137.97 77.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 5.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.57 129.95 8.62 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.514 2.143 . . . . 4.45 112.269 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -79.54 -32.5 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 6.38 110.981 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 36.2 t -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 5.39 111.057 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.6 mt -91.38 46.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 4.68 111.001 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 13.2 m-20 -147.72 160.88 42.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 3.78 110.751 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.6 175.98 5.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 3.57 110.617 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.509 ' HA ' ' HB3' ' A' ' 257' ' ' ALA . 3.4 m-90 -118.27 164.77 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 4.84 110.481 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 257' ' ' ALA . 11.8 t -138.48 169.22 18.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.85 0.357 . . . . 2.03 111.335 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -154.45 87.72 3.46 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 3.02 110.683 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.622 ' HA ' HG21 ' A' ' 207' ' ' THR . 38.1 Cg_endo -65.4 127.96 19.29 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.494 2.129 . . . . 1.7 112.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -163.45 -138.48 2.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.825 -0.702 . . . . 1.85 112.257 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 204' ' ' GLU . 83.4 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.546 0.213 . . . . 2.97 110.557 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.216 0.531 . . . . 5.45 111.423 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 196' ' ' SER . 30.0 tt0 -101.85 23.61 11.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.524 0.678 . . . . 3.98 109.246 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 87.1 m -86.32 30.33 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.006 -0.997 . . . . 3.13 111.138 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.74 110.52 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 2.42 111.098 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.622 HG21 ' HA ' ' A' ' 194' ' ' PRO . 47.3 m -113.12 143.57 44.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 1.8 111.327 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -111.65 115.28 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 3.11 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' ' 141' ' ' ALA . 2.6 mp -101.99 142.32 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.13 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.95 132.47 70.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 2.73 111.221 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.404 HD13 HD13 ' A' ' 145' ' ' ILE . 91.5 mt -68.99 165.4 20.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 4.37 111.335 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -74.28 -55.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 6.2 111.34 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.17 75.33 11.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 5.91 110.875 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.17 173.59 14.26 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.578 2.185 . . . . 4.22 112.362 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 7.1 tp -66.39 133.72 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 4.88 111.093 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 80.3 p -137.1 172.92 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 3.8 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 152' ' ' ALA . 46.7 t -127.31 137.85 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 3.0 111.042 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 43.2 t -71.42 148.07 47.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.17 -0.468 . . . . 3.66 111.057 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.8 m -68.73 -15.36 63.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 3.12 111.064 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.21 -40.54 90.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.918 0.39 . . . . 4.51 110.508 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -76.98 -17.47 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 4.63 110.715 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 51.6 t -79.58 -22.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 2.92 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.08 -33.21 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 3.21 110.748 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.25 -30.93 25.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.932 -0.577 . . . . 4.23 111.161 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -70.03 -15.75 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 4.01 110.814 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -67.08 -15.11 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 5.4 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -69.13 -28.52 66.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 3.8 110.799 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.432 HD12 ' HD2' ' A' ' 167' ' ' LYS . 3.9 mm? -63.64 158.02 22.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 3.46 110.74 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -88.13 144.41 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 3.16 110.82 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 46.8 p90 -95.8 3.42 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 6.2 111.163 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 4.89 111.119 -179.603 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.84 0.352 . . . . 5.59 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 58.2 mtm -82.11 41.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 5.6 111.385 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.06 132.98 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 3.98 110.967 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.2 t70 179.51 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 3.67 110.63 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -88.71 38.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 4.18 111.547 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . 0.427 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 63.3 p-90 -97.26 149.52 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 3.85 110.389 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.643 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 31.5 mtp180 -140.74 146.05 42.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 4.15 111.201 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 30' ' ' PRO . 95.0 Cg_endo -85.37 171.79 8.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.711 2.274 . . . . 2.75 111.751 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.91 45.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 3.18 111.121 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -55.7 140.43 67.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 5.96 110.94 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.65 126.06 7.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.373 2.049 . . . . 4.47 112.455 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 60.8 tp -77.56 -48.74 16.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 4.44 110.593 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -165.73 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 7.2 110.835 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -173.98 163.36 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.62 111.16 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -175.42 149.06 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 6.22 110.499 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -102.3 125.25 48.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.036 0.446 . . . . 3.56 110.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 33' ' ' ILE . 1.1 pp -116.42 145.84 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 2.59 111.397 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -91.66 156.91 17.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 3.38 110.668 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.609 ' HA ' HG23 ' A' ' 192' ' ' THR . . . -163.87 147.66 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.68 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.3 t -63.46 -22.21 66.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.095 0.474 . . . . 2.4 110.092 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.488 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 85.1 t80 -112.01 161.45 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.56 -0.746 . . . . 3.83 110.293 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 67.1 mttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.134 -0.936 . . . . 4.92 111.251 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.669 0.271 . . . . 3.85 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.84 126.99 9.8 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.716 2.277 . . . . 3.29 112.193 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 32' ' ' ASP . 35.0 t -127.53 158.89 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.26 -0.427 . . . . 2.72 110.571 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' HA ' HG21 ' A' ' 108' ' ' THR . 7.1 m-20 -92.03 98.78 11.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.375 . . . . 2.44 110.259 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 255' ' ' ILE . 3.7 mp -86.49 129.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 1.95 111.17 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -113.21 128.81 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 1.53 111.009 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -62.1 -20.85 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 2.28 111.19 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -82.97 -39.38 21.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 4.16 110.959 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 p -74.25 -14.97 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 2.26 110.866 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.97 151.26 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 1.59 110.645 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 4.2 ttmp? -146.15 149.89 34.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 4.1 111.074 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -62.05 135.57 57.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 4.34 111.006 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -122.72 95.29 46.68 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.412 . . . . 3.04 110.877 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.71 40.05 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.708 2.272 . . . . 2.51 112.653 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.91 -45.48 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 3.54 110.977 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.4 tp -169.06 95.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 3.49 110.659 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.598 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 9.7 mtmp? -89.52 155.17 48.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 4.66 110.597 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' HH ' ' A' ' 190' ' ' TYR . 14.5 Cg_endo -57.41 160.52 13.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.363 2.042 . . . . 2.89 111.838 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 tp -94.97 -65.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 5.61 110.717 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.407 ' HG ' ' HD2' ' A' ' 80' ' ' LYS . 61.0 p -136.16 151.71 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 3.01 110.965 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.61 113.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 2.88 111.475 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.456 ' HB3' HG12 ' A' ' 78' ' ' VAL . 21.3 t -113.73 147.43 38.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 2.94 110.655 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -171.49 34.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 5.23 111.083 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -88.51 -23.32 23.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 4.17 110.194 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -98.09 -2.88 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.583 -0.735 . . . . 5.15 110.555 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.27 120.57 4.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.059 -0.519 . . . . 2.19 111.256 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.583 HG23 ' H ' ' A' ' 178' ' ' PHE . 89.5 m -142.74 143.86 32.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.174 -0.466 . . . . 2.31 111.191 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -92.13 157.22 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 2.24 110.524 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -128.01 -39.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.385 . . . . 4.0 111.812 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -150.52 153.06 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 5.17 111.403 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.6 mt -132.09 104.69 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.05 -0.523 . . . . 2.2 110.805 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -113.12 153.04 28.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 3.06 110.958 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.62 HD21 ' HA ' ' A' ' 169' ' ' LYS . 46.7 m-20 -96.75 157.51 15.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.86 0.362 . . . . 2.16 111.02 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -106.52 23.49 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 3.54 111.429 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.25 81.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.373 -0.918 . . . . 2.67 112.342 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -161.88 -57.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 5.03 110.619 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.93 168.66 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 2.49 110.504 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -120.27 133.91 55.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.929 0.395 . . . . 3.96 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.86 152.4 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 3.14 110.848 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.45 147.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.51 110.785 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -129.06 163.37 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 3.84 110.999 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.65 167.47 10.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 4.98 111.216 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.99 122.7 18.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 3.04 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.99 -10.55 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 3.88 110.731 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -56.72 -35.83 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 3.52 110.959 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -168.01 172.52 8.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 4.49 111.178 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.3 124.23 31.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 2.84 110.814 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 71.4 mmtt -90.46 -79.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 3.74 111.398 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.53 136.55 33.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.97 111.501 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.576 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 14.9 p -110.85 148.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 2.27 110.876 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -143.26 117.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 2.78 111.18 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.407 ' HD2' ' HG ' ' A' ' 48' ' ' SER . 9.0 ptpp? -134.35 152.61 51.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.221 -0.445 . . . . 3.11 110.304 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.86 95.96 0.77 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.484 -0.865 . . . . 2.5 112.886 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.14 -147.85 40.09 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.507 -0.854 . . . . 2.96 112.459 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.81 30.6 0.44 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.596 2.197 . . . . 4.5 112.604 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.74 117.98 12.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 3.36 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 5.04 111.055 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.14 44.96 3.4 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.589 -0.815 . . . . 2.03 112.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -67.72 152.15 46.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 2.23 111.199 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -150.4 142.1 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 3.57 110.063 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HG3' ' HA ' ' A' ' 78' ' ' VAL . 3.7 mpt_? -96.84 111.63 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.991 0.425 . . . . 4.36 111.389 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 122' ' ' HIS . 20.8 tp -128.42 143.47 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 3.01 110.623 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 tp -160.03 92.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.294 0.569 . . . . 2.89 111.464 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -154.03 132.92 12.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.338 -0.846 . . . . 3.0 110.074 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -154.2 160.78 42.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.76 111.719 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.495 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.7 p-80 -123.03 167.99 12.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.722 -0.672 . . . . 1.36 110.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.39 154.4 27.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.024 0.44 . . . . 3.9 111.946 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -116.07 168.59 9.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.738 -0.665 . . . . 2.17 110.334 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -175.51 88.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 6.63 110.433 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.477 ' HA3' ' HB3' ' A' ' 244' ' ' TRP . . . -58.95 179.61 1.48 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.85 -0.69 . . . . 3.04 112.873 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.9 m -70.63 -17.93 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.715 0.293 . . . . 4.64 111.108 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.57 139.85 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 5.7 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -97.75 -4.78 36.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 5.38 111.053 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.09 -45.95 2.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 4.71 112.118 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 11.6 pt20 -172.11 149.59 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 5.24 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 2.08 112.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -90.28 156.18 18.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.529 0.204 . . . . 2.22 110.467 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -54.83 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 2.64 110.822 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -87.61 176.02 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 2.79 110.592 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.421 HG21 ' HA ' ' A' ' 32' ' ' ASP . 1.5 t -141.6 99.16 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 2.38 111.251 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 33' ' ' ILE . 20.0 m -89.15 158.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 2.7 111.019 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 112' ' ' LYS . 20.5 t70 53.42 28.1 7.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 2.18 110.831 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mttp 63.64 1.2 1.0 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 3.86 111.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 110' ' ' ASP . 34.6 mmtp -106.71 149.46 27.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 4.34 110.996 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HB2' ' HZ3' ' A' ' 113' ' ' LYS . 4.4 ttmp? -111.09 150.02 29.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 3.01 110.783 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -108.44 168.05 9.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 2.48 110.923 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -84.06 -51.92 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 2.1 111.127 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.16 167.24 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.99 111.064 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -152.63 142.2 21.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 2.4 111.364 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 145' ' ' ILE . 2.9 pp -92.22 148.01 22.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.221 -0.445 . . . . 2.52 110.363 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.495 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -120.54 108.65 14.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 1.93 111.619 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.5 tt -105.56 118.69 37.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 2.98 110.109 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.8 t -95.61 147.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 2.44 111.468 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.61 ' HA ' HD21 ' A' ' 90' ' ' LEU . 83.1 t60 -131.87 148.91 52.57 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.149 -0.478 . . . . 3.2 111.147 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 14.0 p90 -163.79 151.74 12.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 4.68 110.9 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' ' 124' ' ' ASN . 10.6 m120 -83.55 150.92 25.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 2.56 111.244 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 t -82.61 -15.07 53.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 2.19 111.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -63.04 -25.45 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 4.02 110.618 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.651 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 83.0 m-85 -85.38 -13.73 48.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 4.5 110.727 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.1 -33.67 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 2.38 112.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -170.74 170.54 6.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.07 111.072 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -65.92 -20.9 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 3.61 110.982 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.57 96.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 2.51 112.526 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -86.35 -23.05 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.005 0.431 . . . . 4.04 110.444 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.27 69.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 2.12 111.002 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.18 -14.94 11.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.143 -0.481 . . . . 2.79 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.68 7.04 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 4.15 111.178 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -130.83 155.09 81.9 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 3.37 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.97 -51.53 4.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.303 2.002 . . . . 2.89 112.006 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -111.81 26.48 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 2.64 110.879 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.651 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -53.91 -51.77 47.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 1.75 112.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.84 158.52 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 2.23 110.76 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.27 159.38 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 1.5 111.138 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.9 t -119.35 109.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.88 111.057 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.504 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 3.5 mm? -86.8 107.91 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 2.67 110.738 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -101.6 117.79 5.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 1.4 112.328 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 118' ' ' LEU . 86.5 mt -113.9 138.08 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.902 0.382 . . . . 2.06 111.362 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -105.74 115.21 29.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.012 -0.54 . . . . 5.19 110.982 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 118' ' ' LEU . 94.3 mt -64.91 151.16 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 3.73 110.947 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.488 ' HZ3' ' HA ' ' A' ' 216' ' ' SER . 23.0 pttp -112.91 134.67 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 4.63 110.524 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.58 144.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 3.58 111.213 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.72 170.35 12.72 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.827 -0.701 . . . . 3.15 112.495 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.9 m 60.11 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.898 0.38 . . . . 4.35 110.928 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.18 179.43 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.946 -0.57 . . . . 4.28 111.624 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.431 ' HZ3' ' HG3' ' A' ' 157' ' ' GLN . 25.6 ttpp -64.2 115.75 22.15 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.015 -0.539 . . . . 5.57 111.016 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.41 -6.81 15.73 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.406 2.071 . . . . 3.3 112.077 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.39 65.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.237 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.516 ' HG ' HG11 ' A' ' 159' ' ' VAL . 17.3 tp -121.48 25.9 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 4.34 110.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.431 ' HG3' ' HZ3' ' A' ' 153' ' ' LYS . 27.9 mt-30 -58.33 -21.41 49.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 4.04 110.985 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -52.14 -47.84 65.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 5.16 111.731 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 156' ' ' LEU . 13.2 p -75.89 -25.05 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 3.48 111.403 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.8 -25.8 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.6 111.035 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.33 -44.15 53.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 3.01 110.736 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.62 -21.32 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 3.02 111.181 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 164' ' ' ASP . 0.6 OUTLIER -67.23 -45.29 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 2.72 111.011 179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.411 ' N ' HD21 ' A' ' 163' ' ' LEU . 25.2 t70 -53.76 -16.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 2.42 110.71 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.2 t -83.89 -39.83 19.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.798 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.67 37.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 3.02 111.162 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -58.8 -48.88 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 4.14 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 67.7 p -95.81 148.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 2.82 111.01 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.62 ' HA ' HD21 ' A' ' 61' ' ' ASN . 3.9 mptp? -61.38 143.73 55.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 3.97 110.909 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -15.21 25.4 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.95 -0.643 . . . . 2.38 112.153 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -98.27 173.46 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 3.72 110.92 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.7 p -157.25 165.07 36.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 2.54 110.796 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.82 130.37 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 2.36 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -78.9 140.61 38.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 3.74 111.015 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -155.33 105.06 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 5.29 110.587 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.644 HG21 HD21 ' A' ' 177' ' ' ASN . 5.2 t -109.75 179.27 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 5.01 110.885 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . 0.644 HD21 HG21 ' A' ' 176' ' ' THR . 50.3 m-80 60.9 57.0 2.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.909 0.385 . . . . 7.01 111.163 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . 0.583 ' H ' HG23 ' A' ' 55' ' ' THR . 76.7 t80 -82.07 146.75 29.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 5.44 110.481 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -115.75 84.93 13.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 3.92 111.123 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.55 -18.93 66.15 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.433 2.089 . . . . 5.03 111.992 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . 0.461 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 87.1 mtm180 -75.24 -35.11 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 9.4 110.463 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -61.19 -22.63 61.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.596 -0.812 . . . . 3.43 111.924 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 72.1 mt -118.78 1.27 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 6.25 110.839 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 32.3 tp -62.89 116.68 25.92 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 5.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.37 141.46 14.26 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.377 2.051 . . . . 4.45 112.405 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.32 -7.9 52.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 6.38 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 149.6 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 5.39 110.737 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 189' ' ' ASP . 3.4 tt -149.21 127.93 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 4.68 110.816 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.443 ' N ' HD22 ' A' ' 188' ' ' LEU . 4.5 p30 -170.51 144.33 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 3.78 110.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.527 ' HH ' ' HD2' ' A' ' 46' ' ' PRO . 39.8 p90 -144.92 141.11 28.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 3.57 111.296 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -119.43 170.21 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 4.84 110.563 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.54 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 7.0 t -145.86 153.1 40.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 2.03 111.477 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . 0.407 ' HD1' ' HG2' ' A' ' 256' ' ' LYS . 92.8 t80 -172.3 126.95 0.55 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.085 -0.507 . . . . 3.02 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.13 127.71 20.94 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.175 1.917 . . . . 1.7 111.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . 0.431 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -96.16 156.22 21.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.85 112.929 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--N 1.332 -0.18 0 N-CA-C 110.267 -0.272 . . . . 2.97 110.267 179.664 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 5.45 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.49 34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 3.98 111.22 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 40.7 t -85.05 -8.82 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.194 0.521 . . . . 3.13 110.187 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.16 115.12 31.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 2.42 110.912 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.431 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 16.8 m -90.95 142.09 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 1.8 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -116.78 114.71 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.447 . . . . 3.11 111.699 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.504 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 2.9 mp -102.24 146.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 2.13 109.946 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 16.9 m -130.36 136.9 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.065 0.46 . . . . 2.73 112.2 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 109' ' ' VAL . 3.4 mm? 59.04 39.58 23.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.646 -0.706 . . . . 4.37 111.187 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.1 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.379 . . . . 6.2 110.534 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -164.69 83.04 1.22 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.22 -0.446 . . . . 5.91 110.88 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.53 151.16 64.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.617 2.212 . . . . 4.22 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.66 147.94 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.06 -0.518 . . . . 4.88 110.686 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' SER . . . . . 0.488 ' HA ' ' HZ3' ' A' ' 148' ' ' LYS . 39.2 t -83.47 107.13 15.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 3.8 111.313 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 147' ' ' LEU . 26.5 m -144.69 144.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 3.0 110.404 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 222' ' ' VAL . 84.7 p -116.42 158.59 23.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 3.66 111.488 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 78.3 p -56.19 -27.99 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 3.12 110.595 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.55 -36.28 82.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 4.51 109.96 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -77.11 -27.09 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 4.63 110.053 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 218' ' ' SER . 14.3 t -76.35 -13.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.92 110.467 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.426 HD11 ' HD2' ' A' ' 226' ' ' ARG . 42.5 tp -62.79 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.6 . . . . 3.21 110.834 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.47 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 1.2 mptp? -85.68 -33.14 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 4.23 110.983 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -75.53 -25.86 57.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 4.01 111.358 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.426 ' HD2' HD11 ' A' ' 223' ' ' LEU . 11.3 ptp180 -81.26 -5.85 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 5.4 110.89 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 97.5 mttt -69.96 -28.61 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 3.8 110.794 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.48 162.01 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.048 -0.524 . . . . 3.46 110.781 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.89 157.45 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 3.16 110.854 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.76 -6.06 7.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 6.2 110.643 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 4.89 110.57 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.74 0.305 . . . . 5.59 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 44.8 ttm -65.75 99.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 5.6 110.83 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 242' ' ' ASP . 16.8 m -142.55 178.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 3.98 111.442 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 241' ' ' VAL . 12.8 m-20 67.72 28.19 7.33 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.9 -0.591 . . . . 3.67 110.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.51 23.45 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 4.18 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . 0.477 ' HB3' ' HA3' ' A' ' 98' ' ' GLY . 14.8 p-90 -106.26 170.73 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 3.85 110.618 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -136.88 156.62 75.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 4.15 110.719 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 172.44 1.74 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.328 2.019 . . . . 2.75 112.277 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -155.35 32.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.12 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.11 110.14 2.44 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.108 -0.497 . . . . 5.96 111.224 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.37 127.09 18.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.489 2.126 . . . . 4.47 112.104 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 250' ' ' LEU . 2.9 mm? -78.1 -48.79 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 4.44 110.604 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -170.41 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 7.2 110.73 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -165.03 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 5.62 110.762 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 61.87 151.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.053 -0.522 . . . . 6.22 111.588 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -105.52 135.23 47.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 3.56 110.533 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.557 HG21 HG23 ' A' ' 33' ' ' ILE . 8.4 tp -116.07 142.34 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 2.59 111.348 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . 0.407 ' HG2' ' HD1' ' A' ' 193' ' ' TYR . 21.0 ptmt -112.2 168.48 9.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 3.38 110.18 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.54 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.47 152.15 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.68 111.488 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 192' ' ' THR . 37.8 t -73.51 -22.02 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.763 -0.653 . . . . 2.4 109.992 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -112.19 142.58 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 3.83 110.51 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.262 -0.875 . . . . 4.92 111.081 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.455 0.169 . . . . 3.85 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.02 126.47 21.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.585 2.19 . . . . 3.29 112.291 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.02 177.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.17 -0.468 . . . . 2.72 110.958 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.54 98.59 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 2.44 110.756 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -88.57 132.39 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.95 111.054 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 7.1 m-20 -112.82 129.25 56.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 1.53 111.07 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -80.08 -45.15 18.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 2.28 110.914 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -65.38 -31.49 72.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 4.16 110.551 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' A' ' 34' ' ' ASP . 27.7 m -86.23 -22.28 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 2.26 111.214 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.13 157.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 1.59 111.214 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -123.14 134.51 54.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 4.1 111.07 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -77.25 131.49 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 4.34 110.834 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -130.09 90.96 40.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 3.04 110.991 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.19 32.1 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.648 2.232 . . . . 2.51 112.334 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -68.98 -20.75 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 3.54 111.366 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.0 tp -154.23 112.19 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 3.49 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.03 144.72 29.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 4.66 110.901 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 45.4 Cg_exo -57.26 130.0 37.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.554 2.169 . . . . 2.89 111.913 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.24 -68.2 0.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.404 -0.362 . . . . 5.61 111.426 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 m -135.87 151.94 50.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 3.01 111.409 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.28 123.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.423 . . . . 2.88 111.383 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.3 t -113.39 150.78 32.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 2.94 110.725 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -168.9 39.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.063 0.459 . . . . 5.23 110.999 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -92.78 -39.54 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 4.17 110.5 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -80.38 -14.48 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 5.15 110.727 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.565 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.58 120.5 7.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 2.19 111.0 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -157.93 148.78 20.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 2.31 111.124 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 175' ' ' PHE . 63.0 m -81.89 151.19 27.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 2.24 110.64 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB3' HH11 ' A' ' 58' ' ' ARG . 31.8 tp -110.61 -39.25 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 4.0 111.318 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.519 HH11 ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -172.13 161.71 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 5.17 110.764 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.1 mt -128.99 104.01 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.2 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.21 143.76 43.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 3.06 110.996 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 66' ' ' PHE . 1.8 m-20 -105.7 162.67 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 2.16 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -106.33 23.51 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 3.54 111.439 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.79 9.14 82.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 2.67 112.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -151.67 -57.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 5.03 110.468 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.89 153.81 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 2.49 110.514 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 28.6 p90 -120.84 133.84 55.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 3.96 111.534 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -132.63 150.22 52.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 3.14 110.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.85 111.9 37.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 2.51 111.215 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.02 143.8 26.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 3.84 110.925 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.58 149.34 24.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 4.98 110.767 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 27.0 t70 -58.8 105.3 0.3 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.546 . . . . 3.04 111.55 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.594 ' HA ' ' HZ1' ' A' ' 76' ' ' LYS . 21.6 m-20 -94.95 34.63 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 3.88 111.015 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -60.31 -43.63 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 3.52 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -143.23 -74.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 4.49 111.093 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.92 164.92 33.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 2.84 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' A' ' 72' ' ' ASP . 30.9 mtmm -143.7 -83.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 3.74 111.417 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.79 144.73 51.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 1.97 111.171 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HB ' ' OG1' ' A' ' 87' ' ' THR . 19.6 m -138.36 132.43 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.669 . . . . 2.27 110.659 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tt -128.93 123.0 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 2.78 111.053 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -123.88 148.4 46.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 3.11 110.66 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -119.62 84.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.821 -0.704 . . . . 2.5 112.544 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.92 -173.23 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.841 -0.695 . . . . 2.96 112.323 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.94 2.3 5.57 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.034 . . . . 4.5 112.075 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.73 152.18 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 3.36 110.959 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -105.7 12.18 31.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 5.04 110.734 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.451 ' HA2' ' HZ3' ' A' ' 126' ' ' LYS . . . -98.12 62.69 0.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 2.03 112.444 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.416 ' OG1' ' HB ' ' A' ' 78' ' ' VAL . 9.8 t -67.1 144.3 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 2.23 111.021 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.475 ' HB2' ' HD1' ' A' ' 122' ' ' HIS . 47.8 m-85 -91.18 136.25 33.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 3.57 111.012 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -102.42 141.21 35.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 4.36 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 120' ' ' LEU . 6.5 mp -84.34 141.81 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 3.01 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 91' ' ' ILE . 4.3 mp -117.31 -68.98 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 111.935 0.346 . . . . 2.89 111.935 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -159.18 169.3 24.45 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.627 0.251 . . . . 3.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 54.1 p90 -152.0 162.48 41.02 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.88 0.371 . . . . 1.76 110.981 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.7 p-80 -131.0 168.9 16.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 1.36 110.892 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -110.8 157.76 19.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.94 0.4 . . . . 3.9 111.583 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.59 173.82 7.18 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.865 -0.607 . . . . 2.17 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.494 ' HB2' ' HE2' ' A' ' 240' ' ' MET . 29.2 t90 -157.9 133.92 9.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 6.63 110.632 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.53 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -76.76 157.07 46.91 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.868 -0.682 . . . . 3.04 112.627 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t -79.3 -17.51 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 4.64 110.777 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 tp -87.52 152.58 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 5.7 110.316 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -87.22 21.6 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 5.38 110.812 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.69 -49.25 0.11 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.846 -0.693 . . . . 4.71 112.642 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -169.93 173.52 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.821 0.343 . . . . 5.24 111.126 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.79 80.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 2.08 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.9 t -95.15 -75.49 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.665 0.269 . . . . 2.22 110.932 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' ' 245' ' ' ARG . 32.5 tt0 -175.8 -76.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 2.64 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -80.56 173.23 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 2.79 110.672 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 m -133.74 79.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.389 . . . . 2.38 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.468 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.8 m -81.98 147.55 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 2.7 111.183 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 51.21 39.64 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 2.18 110.82 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 56.22 25.15 8.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 3.86 111.548 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -135.74 155.49 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.402 . . . . 4.34 111.332 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -123.34 152.77 41.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.55 . . . . 3.01 110.525 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.41 170.7 7.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 2.48 111.058 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.44 43.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.346 -0.388 . . . . 2.1 111.302 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.96 169.37 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.99 110.81 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -152.78 138.69 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.733 0.301 . . . . 2.4 111.265 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.45 HD23 HD23 ' A' ' 147' ' ' LEU . 4.0 pp -86.74 143.91 27.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 2.52 110.456 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.427 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -109.42 97.22 6.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 1.93 111.176 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.56 HD22 HD21 ' A' ' 90' ' ' LEU . 58.2 tp -105.84 122.61 46.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 2.98 111.037 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.95 123.59 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 2.44 110.841 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.475 ' HD1' ' HB2' ' A' ' 88' ' ' TYR . 8.0 p80 -128.08 107.21 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 3.2 110.918 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -111.49 159.18 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 4.68 110.978 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.02 128.05 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 2.56 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -63.03 -14.91 53.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 2.19 111.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.451 ' HZ3' ' HA2' ' A' ' 86' ' ' GLY . 54.6 mttp -61.53 -28.88 69.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 4.02 110.701 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 132' ' ' LYS . 59.8 m-85 -93.21 -28.96 15.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 4.5 110.852 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.91 -6.17 35.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.846 -0.693 . . . . 2.38 112.593 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -168.9 158.77 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 3.07 110.922 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -73.02 -19.51 61.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 3.61 110.982 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.95 95.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 2.51 112.453 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 127' ' ' TYR . 87.5 tttt -85.57 -21.26 28.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 4.04 110.507 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 139' ' ' GLY . . . -70.24 -53.62 16.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 2.12 110.948 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' A' ' 136' ' ' GLN . 18.3 m -53.28 -16.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.024 -0.535 . . . . 2.79 111.658 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.05 13.55 1.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 4.15 110.599 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 134' ' ' VAL . 15.3 mm100 -131.62 153.42 81.52 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.842 -0.617 . . . . 3.37 110.46 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.71 -17.63 50.85 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.592 2.195 . . . . 2.89 112.449 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.28 -13.21 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 2.64 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 133' ' ' ALA . . . 42.6 -123.91 3.78 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 116.035 -0.529 . . . . 1.75 112.737 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 167.66 17.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 2.23 110.647 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -113.69 132.88 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 1.5 111.059 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 132.42 61.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.356 . . . . 1.88 111.372 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 211' ' ' LEU . 13.9 tp -86.87 144.12 27.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 2.67 110.542 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.471 ' HA3' HG11 ' A' ' 210' ' ' VAL . . . -121.13 112.97 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.617 -0.802 . . . . 1.4 112.818 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 211' ' ' LEU . 71.9 mt -130.41 107.31 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 2.06 110.984 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -69.13 160.53 30.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 5.19 110.796 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.45 HD23 HD23 ' A' ' 118' ' ' LEU . 98.8 mt -138.76 111.75 7.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 3.73 110.971 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -112.52 147.23 37.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 4.63 110.77 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.27 155.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 3.58 111.466 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 83.32 76.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.854 -0.689 . . . . 3.15 112.73 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -165.6 37.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 4.35 110.852 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 61.79 155.46 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.047 -0.524 . . . . 4.28 111.211 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HB2' ' HZ1' ' A' ' 153' ' ' LYS . 4.6 ttmp? -89.98 132.65 35.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 5.57 110.5 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.436 ' HG2' ' HG ' ' A' ' 156' ' ' LEU . 91.0 Cg_endo -80.98 25.84 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.405 2.07 . . . . 3.3 112.474 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.12 44.05 8.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 2.71 112.653 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.436 ' HG ' ' HG2' ' A' ' 154' ' ' PRO . 79.4 mt -104.43 18.72 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 4.34 110.702 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.74 -21.9 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 4.04 110.796 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.01 -35.04 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.958 -0.565 . . . . 5.16 110.933 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.472 HG22 HD21 ' A' ' 177' ' ' ASN . 42.6 t -62.97 -24.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.48 110.627 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.404 HG23 ' HZ1' ' A' ' 224' ' ' LYS . 98.2 t -65.4 -32.35 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 3.6 110.683 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.11 -51.19 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 110.516 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.0 -17.9 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 3.02 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 164' ' ' ASP . 0.4 OUTLIER -63.01 -51.98 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 2.72 111.068 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.4 ' N ' HD23 ' A' ' 163' ' ' LEU . 10.0 m-20 -57.61 -12.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 2.42 111.103 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.9 t -86.35 -38.05 17.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 2.22 110.836 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 13.3 pt -91.42 42.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 3.02 111.049 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.85 -40.19 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 4.14 110.752 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 134.18 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.82 111.323 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.538 ' HE3' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.65 145.75 31.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 3.97 110.998 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 93.07 3.84 65.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.874 -0.679 . . . . 2.38 113.041 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -109.39 149.86 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 3.72 110.932 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.3 p -97.26 165.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 2.54 111.243 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.63 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 2.36 111.117 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.93 155.79 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 3.74 110.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 50.7 p90 -61.44 136.35 58.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 5.29 110.943 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.9 t -143.83 -172.51 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 5.01 110.773 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . 0.472 HD21 HG22 ' A' ' 159' ' ' VAL . 15.7 t-20 60.07 56.81 3.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 7.01 111.08 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -93.09 142.35 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 5.44 110.574 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.52 91.0 32.41 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 3.92 111.337 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.64 -38.7 23.6 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.38 2.053 . . . . 5.03 111.757 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.08 -19.24 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 9.4 110.679 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.55 2.68 29.38 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 3.43 112.572 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.09 14.26 2.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.719 0.295 . . . . 6.25 110.753 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.21 151.21 27.89 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.445 . . . . 5.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -52.09 131.94 41.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.584 2.19 . . . . 4.45 112.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -7.13 59.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 6.38 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 21.7 p 60.14 175.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.923 -0.58 . . . . 5.39 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.36 58.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 4.68 110.95 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -147.85 126.95 12.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.525 . . . . 3.78 110.869 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.552 ' H ' ' HB2' ' A' ' 259' ' ' PHE . 43.5 p90 -168.66 158.01 8.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.395 -0.366 . . . . 3.57 110.689 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.574 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.0 m-90 -97.94 153.76 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 4.84 110.571 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.46 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -155.87 145.27 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 2.03 111.401 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -144.08 112.03 5.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 3.02 110.569 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.447 ' HA ' HG22 ' A' ' 207' ' ' THR . 50.3 Cg_exo -53.49 149.02 32.11 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.54 2.16 . . . . 1.7 112.688 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -143.69 -141.97 3.88 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.852 -0.689 . . . . 1.85 112.387 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 203' ' ' LEU . 80.7 p . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.765 0.317 . . . . 2.97 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 196' ' ' SER . 80.9 mt . . . . . 0 N--CA 1.46 0.057 0 CA-C-O 120.853 0.358 . . . . 5.45 111.313 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 16.87 3.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 3.98 110.538 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 78.6 m -58.35 -17.45 20.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 3.13 110.988 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 45.9 t -123.97 122.65 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 2.42 111.155 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 194' ' ' PRO . 33.6 p -112.86 149.39 33.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 1.8 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -94.26 119.92 33.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 3.11 110.848 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.8 mp -115.03 140.56 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 2.13 110.72 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . 0.471 HG11 ' HA3' ' A' ' 144' ' ' GLY . 11.0 m -137.22 119.81 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 2.73 111.452 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 143' ' ' LEU . 85.0 mt -62.22 152.44 33.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.615 . . . . 4.37 111.038 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -81.12 -13.41 58.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 6.2 111.324 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.74 85.79 17.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 5.91 110.869 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.82 141.9 17.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.621 2.214 . . . . 4.22 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 49.9 mm -72.37 146.98 10.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 4.88 110.865 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 t -127.26 127.74 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 3.8 111.132 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.22 169.54 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 3.0 110.942 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.403 ' HG ' ' H ' ' A' ' 220' ' ' GLU . 37.1 t -103.59 148.1 26.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 3.66 110.799 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 48.4 t -60.2 -26.59 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 3.12 110.624 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . 0.403 ' H ' ' HG ' ' A' ' 218' ' ' SER . 38.9 tt0 -85.16 -20.35 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 4.51 110.69 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.97 -44.71 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 4.63 110.678 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.04 -15.55 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 2.92 110.924 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 62.7 tp -50.85 -45.05 59.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 3.21 111.242 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 0.5 OUTLIER -66.2 -29.97 70.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.349 . . . . 4.23 110.915 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.33 -26.94 62.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 4.01 110.873 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -70.53 -16.1 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 5.4 110.741 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -80.16 -30.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 3.8 111.203 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.11 162.3 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 3.46 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . 0.405 ' HB2' ' HZ1' ' A' ' 169' ' ' LYS . 17.5 m120 -99.32 147.14 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 3.16 111.127 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.421 ' C ' ' HG2' ' A' ' 169' ' ' LYS . 80.2 m-85 -104.3 3.86 33.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 6.2 111.117 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 4.89 111.365 -179.085 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.72 0.295 . . . . 5.59 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.494 ' HE2' ' HB2' ' A' ' 97' ' ' TRP . 21.4 ptm 32.3 45.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.568 -0.742 . . . . 5.6 111.902 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 31.3 m -78.42 171.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.779 -0.646 . . . . 3.98 111.296 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 62.24 31.63 17.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 3.67 110.874 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.03 43.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 4.18 110.937 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . 0.53 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 48.7 p-90 -136.3 161.75 34.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 3.85 111.183 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.478 ' HB3' ' HG3' ' A' ' 106' ' ' GLU . 14.5 tpt180 -141.0 131.08 13.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.769 -0.65 . . . . 4.15 110.765 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.14 153.17 79.13 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.407 2.072 . . . . 2.75 112.252 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -106.21 156.54 18.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.402 -0.363 . . . . 3.18 111.24 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 155.16 75.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 5.96 110.801 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 137.91 36.32 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.435 2.09 . . . . 4.47 112.198 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.25 -43.56 92.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.869 -0.605 . . . . 4.44 110.662 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 62.14 5.99 1.66 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.697 -0.683 . . . . 7.2 111.475 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -104.24 -29.08 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 5.62 110.526 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 69.52 0.62 3.01 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.658 -0.701 . . . . 6.22 111.544 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -144.12 117.35 8.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.808 0.337 . . . . 3.56 111.252 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.409 HG12 HG22 ' A' ' 33' ' ' ILE . 7.9 tp -115.57 138.98 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 2.59 110.496 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' A' ' 256' ' ' LYS . 0.0 OUTLIER -97.14 160.35 14.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 3.38 110.929 -179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -158.62 168.22 27.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 1.68 110.813 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.6 t -78.29 -39.16 40.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.194 -0.457 . . . . 2.4 110.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.552 ' HB2' ' H ' ' A' ' 190' ' ' TYR . 90.7 m-85 -140.63 135.52 31.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.579 . . . . 3.83 111.038 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 4.92 111.137 -179.76 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.645 0.259 . . . . 3.85 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 246' ' ' PRO . 18.8 Cg_endo -58.72 125.2 17.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.544 2.163 . . . . 3.29 112.169 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -142.2 176.7 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.979 -0.555 . . . . 2.72 110.636 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -82.55 98.79 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.206 -0.452 . . . . 2.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 2.2 mm -76.96 140.84 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.62 . . . . 1.95 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -110.76 117.81 34.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.02 0.438 . . . . 1.53 111.009 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -80.28 -20.66 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.601 . . . . 2.28 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -79.45 -39.69 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 4.16 110.622 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -85.48 -13.78 48.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 2.26 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 152.47 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.59 111.224 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -135.09 138.31 43.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 4.1 110.786 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 29.1 p90 -83.55 150.42 25.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 4.34 110.969 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.84 130.65 23.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 3.04 110.597 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.53 34.53 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.393 2.062 . . . . 2.51 112.548 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -89.68 -33.5 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 3.54 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.8 mt -115.21 154.43 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 3.49 111.269 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.34 153.53 41.93 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.465 . . . . 4.66 110.943 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.16 125.66 19.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.388 2.059 . . . . 2.89 111.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.528 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 3.9 pp -97.88 155.65 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 5.61 111.188 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -123.24 140.36 53.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 3.01 110.803 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.446 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 24.8 m -102.72 139.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 2.88 111.594 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -113.51 149.57 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 2.94 110.597 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -167.45 40.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 5.23 110.779 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.39 -20.97 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 4.17 110.366 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 76' ' ' LYS . 13.4 pt20 -135.55 18.72 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 5.15 111.084 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -53.97 120.7 6.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.559 -0.291 . . . . 2.19 111.138 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 ' HA ' ' A' ' 176' ' ' THR . 31.4 m -148.7 141.4 24.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 2.31 111.205 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.8 p -89.29 164.21 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 2.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -111.54 -38.92 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 4.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -177.77 168.93 2.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.393 -0.367 . . . . 5.17 110.868 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tt -132.87 117.47 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 2.2 111.072 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.33 154.04 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 3.06 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.39 156.55 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 2.16 110.666 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.79 23.49 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 3.54 110.951 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.05 -7.46 81.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.643 -0.789 . . . . 2.67 112.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -146.21 -66.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.718 0.294 . . . . 5.03 110.769 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.86 159.15 15.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.387 . . . . 2.49 110.803 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -124.45 137.09 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 3.96 110.95 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -132.96 150.95 52.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 3.14 110.666 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' HD2' ' A' ' 93' ' ' PHE . 7.3 p -107.4 137.97 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 2.51 111.103 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -112.13 135.85 52.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.84 110.902 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -100.03 151.6 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 4.98 110.764 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' HB3' ' HZ1' ' A' ' 76' ' ' LYS . 23.8 t70 -59.94 129.5 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 3.04 111.147 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -96.12 -19.3 19.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 3.88 110.977 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -69.93 -7.06 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 3.52 110.658 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -165.99 95.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.965 -0.561 . . . . 4.49 110.533 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.62 111.63 0.68 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 2.84 111.136 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 46.1 mmtm -82.62 -62.21 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 3.74 110.856 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -111.21 117.43 33.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 1.97 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 p -135.71 150.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 2.27 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -130.06 154.85 47.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.78 110.789 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG2' HG23 ' A' ' 87' ' ' THR . 52.3 mtpt -130.4 145.11 51.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.354 -0.384 . . . . 3.11 111.234 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 47' ' ' LEU . . . -170.31 178.57 42.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.969 -0.634 . . . . 2.5 112.179 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.44 175.08 7.71 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.425 -0.893 . . . . 2.96 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.17 -50.38 2.9 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.674 2.249 . . . . 4.5 112.359 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.38 144.94 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 3.36 111.057 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -85.82 3.54 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 5.04 110.864 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.89 131.51 31.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.592 -0.813 . . . . 2.03 111.962 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 80' ' ' LYS . 33.5 p -87.44 156.31 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 2.23 111.463 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -119.44 118.01 29.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 3.57 110.892 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -103.45 151.2 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 4.36 110.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -82.66 140.56 33.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.89 0.376 . . . . 3.01 110.642 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.4 mt -103.73 -75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 2.89 111.618 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -159.52 159.17 33.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.626 -0.261 . . . . 3.0 111.389 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.437 ' HD2' HG11 ' A' ' 68' ' ' VAL . 3.2 p90 -122.55 159.44 27.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 1.76 110.301 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -152.61 169.1 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 1.36 111.127 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -110.49 150.86 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 3.9 110.506 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -99.74 147.84 25.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 2.17 111.05 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -85.72 156.0 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 6.63 110.712 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.9 -176.71 31.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.214 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.468 ' H ' ' HB3' ' A' ' 244' ' ' TRP . 69.6 m -93.49 -34.91 13.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 4.64 111.156 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.408 ' H ' ' HB2' ' A' ' 244' ' ' TRP . 8.0 mp -109.61 140.33 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 5.7 110.739 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -117.55 79.06 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 5.38 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.34 -37.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.81 -0.709 . . . . 4.71 112.459 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -163.88 158.31 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 5.24 110.819 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.522 ' HA2' ' HD2' ' A' ' 113' ' ' LYS . . . 120.18 83.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 2.08 112.637 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.8 p -87.95 176.26 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.29 . . . . 2.22 110.762 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.37 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 2.64 111.003 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -91.66 164.97 13.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 2.79 110.36 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.3 p -138.86 104.76 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.506 -0.316 . . . . 2.38 111.094 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.515 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.9 m -88.78 148.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.393 . . . . 2.7 111.217 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.2 t70 54.71 32.68 17.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.582 . . . . 2.18 110.564 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 59.18 23.62 11.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 3.86 110.803 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -111.81 129.0 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 4.34 110.87 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.522 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 25.5 ttpp -108.32 147.84 30.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.4 . . . . 3.01 110.55 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.59 174.0 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.48 110.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.55 -53.34 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 2.1 111.051 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.99 173.03 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 1.99 110.832 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 132.36 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 2.4 111.772 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.5 mt -87.7 148.15 24.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 2.52 110.119 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 3.8 t-160 -119.5 95.52 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 1.93 111.011 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.57 123.03 47.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 2.98 110.945 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.506 HG23 HG13 ' A' ' 142' ' ' VAL . 27.7 t -99.78 147.67 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.391 . . . . 2.44 111.021 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -124.21 137.22 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 3.2 111.008 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -116.75 145.4 43.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 4.68 110.7 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -81.02 131.53 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 2.56 111.06 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 t -80.5 -15.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 2.19 110.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.7 -34.07 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.93 -0.577 . . . . 4.02 110.785 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -85.91 -29.84 23.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 4.5 110.718 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.11 -0.87 7.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.979 -0.629 . . . . 2.38 113.181 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.8 145.02 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 3.07 111.246 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -81.64 -30.65 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 3.61 110.651 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.29 65.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 2.51 112.175 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -86.54 -21.23 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.955 0.407 . . . . 4.04 110.412 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.446 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -76.42 -50.09 15.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 2.12 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.7 -23.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 2.79 111.337 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -78.17 -28.76 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 4.15 111.065 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.39 147.58 33.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 3.37 110.818 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.78 -13.01 34.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.485 2.124 . . . . 2.89 112.033 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.13 13.76 13.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.536 . . . . 2.64 110.825 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -52.03 -60.15 7.94 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.015 -0.612 . . . . 1.75 112.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.39 146.5 40.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.788 0.328 . . . . 2.23 110.753 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -115.68 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 1.5 111.037 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.506 HG13 HG23 ' A' ' 121' ' ' VAL . 59.1 t -91.8 131.54 38.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.88 111.158 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 209' ' ' ILE . 64.9 tp -108.15 139.25 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.67 110.827 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -107.72 112.15 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 1.4 112.406 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 48.2 mm -99.08 142.68 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.77 0.319 . . . . 2.06 111.156 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -111.19 165.19 12.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 5.19 111.054 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.97 140.93 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 3.73 110.852 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.41 139.1 40.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 4.63 110.997 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.37 141.81 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 3.58 110.912 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.26 -176.32 20.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 3.15 112.376 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.6 t 57.03 73.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 4.35 110.774 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.8 163.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 4.28 111.68 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.653 ' HZ1' ' HB3' ' A' ' 153' ' ' LYS . 7.8 ttpm? -67.5 117.21 45.03 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 5.57 110.929 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.82 -22.51 20.1 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.288 1.992 . . . . 3.3 112.356 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 149.69 59.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.669 -0.777 . . . . 2.71 112.684 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.95 17.66 15.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 4.34 110.651 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' A' ' 160' ' ' VAL . 35.9 tt0 -57.81 -25.91 61.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.929 -0.578 . . . . 4.04 111.16 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -63.19 -34.94 78.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 5.16 110.747 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.27 -26.33 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 3.48 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.45 HG23 ' HG2' ' A' ' 224' ' ' LYS . 90.4 t -56.71 -32.05 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.044 -0.525 . . . . 3.6 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.61 -25.75 41.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 3.01 110.232 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.24 -19.23 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.691 -0.686 . . . . 3.02 110.946 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.15 -35.89 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 2.72 111.076 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.03 -12.68 12.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.01 -0.541 . . . . 2.42 110.866 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 37.3 t -65.2 -24.27 67.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 2.22 111.229 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.485 HD11 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -134.8 42.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 3.02 111.348 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.47 ' HG3' HG23 ' A' ' 168' ' ' THR . 60.8 pttt -59.88 -34.31 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.338 -0.392 . . . . 4.14 111.055 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 167' ' ' LYS . 70.0 p -92.24 157.2 16.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 2.82 111.041 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.4 OUTLIER -79.31 142.54 36.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.112 -0.495 . . . . 3.97 110.869 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 108.26 -15.33 36.1 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.9 -0.666 . . . . 2.38 111.92 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.424 ' HB3' HG22 ' A' ' 166' ' ' ILE . 35.8 mmtp -87.86 177.23 7.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 3.72 111.017 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.7 p -150.72 162.8 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.54 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -158.9 137.24 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 2.36 111.088 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.59 143.93 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 3.74 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -138.16 155.9 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 5.29 111.057 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.409 ' HA ' HG21 ' A' ' 55' ' ' THR . 6.0 t -133.97 167.21 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 5.01 110.893 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.54 56.56 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 7.01 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -95.85 109.28 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 5.44 110.46 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -145.71 81.87 9.77 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 3.92 111.297 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -77.62 -29.71 4.42 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.547 2.164 . . . . 5.03 112.3 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . 0.473 ' HD3' HD13 ' A' ' 184' ' ' LEU . 30.5 mmt180 -82.24 -6.95 59.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 9.4 110.635 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.36 -22.61 45.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.829 -0.7 . . . . 3.43 112.727 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 183' ' ' LEU . 3.8 mm? -97.98 -16.16 19.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.709 0.29 . . . . 6.25 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.473 HD13 ' HD3' ' A' ' 181' ' ' ARG . 39.3 mt -97.41 137.26 21.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.325 -0.398 . . . . 5.0 111.076 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 148.35 29.75 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.469 2.112 . . . . 4.45 112.281 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.89 -8.65 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 6.38 111.013 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 40.3 t -95.35 101.21 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.39 110.81 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.0 pp -163.81 158.44 20.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 4.68 111.204 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.99 177.38 4.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 3.78 110.558 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.422 ' HB3' HD22 ' A' ' 211' ' ' LEU . 43.3 p90 -169.84 145.76 3.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.847 0.355 . . . . 3.57 111.123 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -88.91 161.96 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.563 -0.532 . . . . 4.84 109.563 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.632 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -137.88 132.04 31.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 2.03 111.907 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.24 74.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.63 . . . . 3.02 110.146 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.568 ' HA ' ' H ' ' A' ' 208' ' ' TRP . 71.4 Cg_exo -49.79 142.02 26.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.858 2.372 . . . . 1.7 112.866 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . 0.535 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -90.42 14.12 63.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.83 -0.7 . . . . 1.85 112.155 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 110.378 -0.23 . . . . 2.97 110.378 179.798 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.793 0.33 . . . . 5.45 110.645 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.32 21.74 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 3.98 110.913 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 26.0 p -114.46 20.9 15.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 3.13 110.87 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 10.6 t -127.37 110.43 22.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.442 . . . . 2.42 111.267 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.535 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 8.9 t -113.02 147.49 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 1.8 110.564 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . 0.568 ' H ' ' HA ' ' A' ' 194' ' ' PRO . 16.5 t-105 -111.08 108.21 17.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 3.11 111.029 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.452 ' HB ' HD11 ' A' ' 143' ' ' LEU . 6.8 mm -105.89 153.19 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.634 . . . . 2.13 110.506 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 15.9 m -142.18 131.44 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.954 0.407 . . . . 2.73 111.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 190' ' ' TYR . 13.3 mt -85.61 158.43 20.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 4.37 110.935 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -88.51 -38.33 15.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 6.2 111.225 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -118.96 83.0 22.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 5.91 111.001 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.25 171.13 17.51 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.557 2.171 . . . . 4.22 112.352 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 16.5 tt -75.84 141.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 4.88 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 72.6 p -101.87 127.93 48.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.502 . . . . 3.8 111.069 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 12.5 p -109.4 143.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 3.0 110.864 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.4 t -77.59 148.14 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 3.66 111.083 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.4 p -66.45 -14.52 62.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 3.12 110.609 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -86.1 -24.98 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 4.51 110.783 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . 0.501 HE21 ' HB2' ' A' ' 153' ' ' LYS . 79.1 mm-40 -69.79 -32.56 71.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.191 -0.459 . . . . 4.63 111.462 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.442 ' HA ' ' HD1' ' A' ' 225' ' ' PHE . 34.6 m -74.19 -8.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 2.92 111.05 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.81 -24.62 48.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 3.21 110.647 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.45 ' HG2' HG23 ' A' ' 160' ' ' VAL . 3.2 mptp? -76.56 -33.6 58.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 4.23 110.717 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . 0.442 ' HD1' ' HA ' ' A' ' 222' ' ' VAL . 96.9 m-85 -69.28 -24.0 63.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 4.01 111.03 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -70.61 -18.28 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 5.4 110.853 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -71.37 -18.0 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 3.8 110.97 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.461 ' HG ' ' HA ' ' A' ' 167' ' ' LYS . 7.9 mp -78.99 162.03 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 3.46 110.929 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . 0.45 HD21 HG21 ' A' ' 168' ' ' THR . 95.0 m-20 -90.4 179.23 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 3.16 111.491 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -91.54 -9.64 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 6.2 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 7.3 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.79 0.329 . . . . 4.89 111.109 -179.438 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.37 . . . . 5.59 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.495 ' HG3' HG22 ' A' ' 241' ' ' VAL . 25.4 ptp -61.36 -34.82 75.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 5.6 110.619 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.495 HG22 ' HG3' ' A' ' 240' ' ' MET . 27.8 m -145.54 175.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.637 -0.71 . . . . 3.98 111.033 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -135.7 -167.99 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 3.67 110.535 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -131.28 53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 4.18 111.073 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . 0.468 ' HB3' ' H ' ' A' ' 99' ' ' SER . 67.4 t-105 -121.89 115.91 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 3.85 110.985 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 245' ' ' ARG . 1.6 mmp_? -135.68 150.38 71.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 4.15 110.591 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.558 ' HB2' ' HG2' ' A' ' 30' ' ' PRO . 34.8 Cg_exo -57.62 164.82 6.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.523 2.148 . . . . 2.75 112.239 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.38 38.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 3.18 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.21 120.96 66.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 5.96 110.462 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.43 123.89 14.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.252 1.968 . . . . 4.47 112.116 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 18.7 tp -79.8 -8.78 59.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 4.44 110.559 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm 58.59 17.49 5.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 7.2 111.047 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.17 150.02 48.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.29 -0.414 . . . . 5.62 110.488 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 253' ' ' ARG . 5.9 mpt_? -111.16 2.92 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 6.22 111.554 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.01 117.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 3.56 111.206 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 5.7 tp -116.61 124.39 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 2.59 110.861 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.41 141.05 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 3.38 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.632 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.5 170.94 15.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 1.68 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 192' ' ' THR . 29.8 t -102.28 -2.06 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 2.4 110.255 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -111.77 148.23 33.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 3.83 110.595 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.184 -0.912 . . . . 4.92 111.037 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.513 0.197 . . . . 3.85 111.147 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.97 132.78 51.59 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.661 2.241 . . . . 3.29 112.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 249' ' ' PRO . 75.7 t -141.41 152.43 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 2.72 110.699 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 3.2 m-20 -76.41 98.49 4.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.349 . . . . 2.44 110.442 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.508 HG23 HD13 ' A' ' 255' ' ' ILE . 2.7 mp -91.06 147.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 1.95 111.338 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HB2' HG22 ' A' ' 37' ' ' THR . 9.0 m-20 -109.95 129.36 55.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 1.53 111.076 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -72.81 -17.8 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 2.28 110.734 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -74.17 -40.95 62.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.798 -0.637 . . . . 4.16 111.061 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 34' ' ' ASP . 14.9 t -75.23 -5.37 44.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 2.26 111.033 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 157.63 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 1.59 111.221 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -122.66 149.64 43.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 4.1 110.644 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -81.03 114.21 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 4.34 111.217 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.16 90.92 45.89 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 3.04 110.836 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.02 53.7 4.69 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.55 2.167 . . . . 2.51 112.626 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -87.22 -41.95 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.683 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.7 mm? -91.57 94.23 9.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 3.49 110.621 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.9 147.68 33.78 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 4.66 111.024 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 125.78 9.37 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.266 1.978 . . . . 2.89 111.778 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 tp -124.28 -62.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 5.61 110.946 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 55.1 m -135.82 139.82 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 3.01 111.061 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.75 124.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 2.88 111.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 m -113.37 142.65 45.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 2.94 110.814 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -177.7 37.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 5.23 111.002 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -92.64 -43.94 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 4.17 110.819 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -89.68 -4.85 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 5.15 110.755 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.08 120.66 5.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.277 -0.42 . . . . 2.19 110.791 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 178' ' ' PHE . 85.7 m -157.5 145.44 18.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 2.31 111.68 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -92.64 150.79 20.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.85 -0.614 . . . . 2.24 110.157 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 tp -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 4.0 111.794 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 59' ' ' ILE . 42.1 ttp180 -159.5 157.69 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.421 . . . . 5.17 111.754 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.413 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 14.2 tt -131.01 126.75 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.782 -0.644 . . . . 2.2 110.418 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 172' ' ' SER . 43.3 tp -112.87 148.12 35.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 3.06 111.01 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -109.05 155.1 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.16 110.776 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.56 23.89 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 3.54 111.739 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.63 82.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.453 -0.88 . . . . 2.67 112.608 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -178.77 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 5.03 110.752 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.68 125.3 50.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 2.49 110.621 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -123.21 139.66 53.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 3.96 111.733 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -131.67 152.47 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.782 -0.645 . . . . 3.14 109.786 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -92.17 138.02 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.616 0.246 . . . . 2.51 110.987 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.598 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 9.9 pt-20 -119.14 143.75 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 3.84 111.453 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.85 172.21 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 4.98 110.882 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 20.9 t70 -59.99 120.57 9.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 3.04 110.753 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.31 -14.96 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 3.88 110.945 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.3 t -71.51 -11.45 60.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 3.52 111.146 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -154.66 153.69 31.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.313 -0.403 . . . . 4.49 110.817 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.09 118.58 18.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 2.84 110.857 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 70.7 mmtt -91.09 -82.4 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.74 111.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' A' ' 54' ' ' ALA . . . -115.21 123.35 48.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 1.97 111.71 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.36 165.04 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.658 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 5.4 mp -129.91 155.72 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 2.78 110.822 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 62.7 mttp -145.69 143.39 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 3.11 110.702 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.6 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . -99.02 -176.24 31.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.678 -0.772 . . . . 2.5 112.564 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.69 -87.54 0.34 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.607 -0.806 . . . . 2.96 112.75 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.25 -60.47 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.6 2.2 . . . . 4.5 112.686 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.6 HD21 ' HA3' ' A' ' 81' ' ' GLY . 2.0 pt? -63.65 145.85 54.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 3.36 110.951 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.57 13.14 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 5.04 110.593 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.77 132.12 21.84 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.836 -0.697 . . . . 2.03 112.49 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.8 m -108.73 126.43 52.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 2.23 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.507 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 83.0 m-85 -86.43 122.73 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 3.57 110.625 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -96.15 153.49 17.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 4.36 110.716 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.9 tt -118.78 128.93 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.929 -0.397 . . . . 3.01 109.929 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.581 HG12 ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -119.5 -69.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.193 0.442 . . . . 2.89 112.193 -179.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.598 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 15.7 mt-30 -139.43 162.96 33.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.83 0.348 . . . . 3.0 111.617 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -155.05 161.64 41.27 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.188 -0.46 . . . . 1.76 110.837 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.467 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.2 p-80 -147.58 168.27 22.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 1.36 110.49 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 118' ' ' LEU . 13.2 p90 -117.13 147.92 42.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.901 0.382 . . . . 3.9 111.875 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -107.28 165.91 11.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.966 -0.561 . . . . 2.17 110.929 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -147.59 167.29 24.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.29 -0.414 . . . . 6.63 111.107 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.2 156.06 22.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.579 . . . . 3.04 112.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 -18.76 60.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 4.64 111.031 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -96.7 153.31 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 5.7 110.973 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.91 29.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 5.38 110.734 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.47 -46.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.855 -0.688 . . . . 4.71 112.525 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -166.65 157.79 12.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 5.24 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.86 71.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.488 -0.863 . . . . 2.08 113.089 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -126.28 -82.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 2.22 110.802 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG2' ' HD2' ' A' ' 245' ' ' ARG . 46.3 mt-10 -151.09 -88.28 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.384 -0.371 . . . . 2.64 111.42 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.46 171.89 8.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 2.79 111.356 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 86.8 m -139.56 91.33 2.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 2.38 110.728 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.52 147.81 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 2.7 111.024 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.8 37.66 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 2.18 110.816 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 59.2 24.87 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.931 0.396 . . . . 3.86 111.079 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -136.15 123.36 21.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 4.34 110.831 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -83.98 144.58 29.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 3.01 110.995 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -70.39 140.93 52.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 2.48 110.529 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.62 -28.84 22.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 2.1 110.773 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.28 136.61 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 1.99 110.114 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -152.45 138.57 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 2.4 111.265 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 95' ' ' PHE . 4.4 pp -87.18 147.9 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 2.52 111.289 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -101.38 121.56 42.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.907 -0.588 . . . . 1.93 110.958 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.37 116.57 32.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 2.98 110.879 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.46 121.92 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 2.44 110.824 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -131.64 154.68 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 3.2 110.507 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -165.11 118.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 4.68 110.958 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -55.54 133.4 50.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 2.56 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.2 t -82.1 -14.76 55.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 2.19 111.434 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.617 ' HB3' ' HZ1' ' A' ' 126' ' ' LYS . 7.6 mtpm? -59.42 -24.83 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 4.02 111.176 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -81.04 -26.78 36.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 4.5 111.246 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.97 -44.78 3.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.643 -0.789 . . . . 2.38 112.614 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.05 149.63 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 3.07 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -63.5 -19.35 64.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 3.61 111.038 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.75 -43.44 96.24 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.592 -0.813 . . . . 2.51 112.402 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.19 -19.82 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 4.04 110.743 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.31 -51.51 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 2.12 110.603 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.31 -7.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 2.79 111.498 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.19 -15.72 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 4.15 110.695 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.629 HE21 ' HB2' ' A' ' 138' ' ' ASP . 20.6 pt20 -140.27 156.03 70.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 3.37 110.713 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.18 -16.95 57.69 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.79 2.327 . . . . 2.89 112.867 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.629 ' HB2' HE21 ' A' ' 136' ' ' GLN . 9.1 m-20 -95.29 10.85 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.704 0.288 . . . . 2.64 111.073 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.01 -76.04 0.2 Allowed Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.949 -0.643 . . . . 1.75 112.723 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -128.1 155.82 43.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.69 0.281 . . . . 2.23 110.873 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.14 34.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 1.5 111.509 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.3 t -127.32 107.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.258 -0.428 . . . . 1.88 110.979 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 10.4 mp -86.13 144.27 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 2.67 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.2 123.5 4.22 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.694 -0.765 . . . . 1.4 112.843 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.2 mt -110.86 136.15 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.694 0.283 . . . . 2.06 110.735 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.524 ' H ' ' HG2' ' A' ' 214' ' ' PRO . 40.8 t80 -76.4 145.09 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.431 -0.35 . . . . 5.19 110.986 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.467 HD12 HD22 ' A' ' 118' ' ' LEU . 89.0 mt -132.82 124.16 27.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 3.73 110.891 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.41 ' HE3' HD12 ' A' ' 215' ' ' ILE . 28.1 ttpp -146.43 144.47 29.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.63 110.786 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.61 121.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 3.58 111.187 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.83 -94.62 0.48 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.81 -0.71 . . . . 3.15 112.403 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.4 p -93.02 171.54 8.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 4.35 110.892 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -70.48 -164.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 4.28 111.198 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.422 ' HZ2' ' HG3' ' A' ' 157' ' ' GLN . 22.9 ttpp -72.73 113.12 18.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 5.57 111.066 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' A' ' 156' ' ' LEU . 73.4 Cg_endo -76.25 -17.18 17.09 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.29 1.993 . . . . 3.3 112.083 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.93 59.07 0.01 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.829 -0.701 . . . . 2.71 112.726 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 154' ' ' PRO . 7.4 mp -122.86 34.43 5.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 4.34 110.811 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.436 ' HA ' HG23 ' A' ' 160' ' ' VAL . 45.9 mt-30 -55.78 -36.71 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 4.04 111.065 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -24.31 64.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 5.16 111.074 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.8 -36.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 3.48 111.307 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.48 ' HA ' HD21 ' A' ' 163' ' ' LEU . 28.3 m -80.89 -18.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.6 111.05 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.38 -37.24 20.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 3.01 111.071 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.81 -44.05 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.907 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.562 ' HA ' HG12 ' A' ' 166' ' ' ILE . 0.2 OUTLIER -75.17 -21.06 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.72 110.763 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.459 ' N ' HD23 ' A' ' 163' ' ' LEU . 13.9 t70 -58.81 -17.61 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.919 -0.582 . . . . 2.42 109.867 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 56.3 m -94.13 -29.71 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 2.22 110.895 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' A' ' 163' ' ' LEU . 0.3 OUTLIER -91.63 50.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 3.02 110.816 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.73 -40.28 62.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.044 -0.525 . . . . 4.14 110.599 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.9 p -114.98 137.71 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.675 -0.693 . . . . 2.82 110.66 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.474 ' HZ3' ' HE3' ' A' ' 240' ' ' MET . 1.2 mptm? -60.48 147.77 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 3.97 111.094 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.3 -6.8 26.76 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.668 -0.696 . . . . 2.38 112.134 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.417 ' HB2' HG21 ' A' ' 166' ' ' ILE . 99.7 mttt -109.19 177.14 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 3.72 110.93 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' SER . . . . . 0.401 ' HB3' HD12 ' A' ' 60' ' ' LEU . 67.7 p -151.32 168.71 23.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 2.54 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -161.39 142.73 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 2.36 110.819 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.56 136.39 33.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 3.74 111.219 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -149.31 142.21 24.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 5.29 110.45 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.1 t -129.41 176.69 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.36 -0.382 . . . . 5.01 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 60.37 56.79 3.07 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.929 0.395 . . . . 7.01 110.869 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . 0.52 ' H ' HG22 ' A' ' 55' ' ' THR . 73.4 t80 -81.84 147.48 29.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 5.44 110.836 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.76 113.67 23.48 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 3.92 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.08 -21.22 12.31 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.337 2.025 . . . . 5.03 112.207 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 74.7 mtp180 -71.77 -11.23 60.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 9.4 110.652 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -58.81 -29.33 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 3.43 112.261 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.2 pp -117.07 12.08 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 6.25 111.128 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 41.6 tp -57.82 119.23 32.03 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.224 -0.444 . . . . 5.0 111.02 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . 0.492 ' HD2' HD11 ' A' ' 184' ' ' LEU . 48.6 Cg_endo -68.88 131.14 21.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.187 1.925 . . . . 4.45 111.964 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.5 -24.13 39.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 6.38 111.291 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 46.7 t -142.49 166.93 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.352 . . . . 5.39 111.019 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 93.1 mt -107.64 31.52 5.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.68 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.509 ' HB2' ' HD2' ' A' ' 212' ' ' LYS . 5.3 m-20 -136.13 147.76 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 3.78 110.242 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -170.0 171.66 6.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 3.57 111.225 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -107.41 174.42 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 4.84 109.969 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.9 t -151.62 137.03 17.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.13 0.419 . . . . 2.03 112.13 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -132.4 78.64 67.47 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 3.02 110.306 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 130.08 34.86 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.794 2.329 . . . . 1.7 112.731 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.31 -172.72 13.31 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.899 -0.667 . . . . 1.85 112.334 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.333 -0.141 0 CA-C-O 120.532 0.206 . . . . 2.97 110.838 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' A' ' 205' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.895 0.379 . . . . 5.45 111.079 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.01 30.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.213 0.53 . . . . 3.98 109.922 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . 0.414 ' H ' ' C ' ' A' ' 203' ' ' LEU . 49.6 t -57.22 -17.66 12.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 3.13 111.555 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.48 136.04 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 2.42 111.412 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 54.9 m -113.16 146.17 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 1.8 110.284 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -113.71 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 3.11 110.706 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 4.4 mp -114.22 135.71 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 2.13 110.729 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.99 117.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 2.73 111.036 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.506 ' HB2' ' HG3' ' A' ' 214' ' ' PRO . 7.8 mp -62.78 171.42 2.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.244 -0.434 . . . . 4.37 110.744 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 61.8 mtpt -58.64 -55.59 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 6.2 111.194 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.85 70.9 1.26 Allowed Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.294 -0.412 . . . . 5.91 111.307 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . 0.524 ' HG2' ' H ' ' A' ' 146' ' ' PHE . 90.0 Cg_endo -83.07 152.29 14.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.713 2.275 . . . . 4.22 112.481 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . 0.41 HD12 ' HE3' ' A' ' 148' ' ' LYS . 6.0 tt -162.85 111.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 4.88 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 41.4 m -137.55 102.22 4.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.349 -0.387 . . . . 3.8 111.081 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.71 137.67 15.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.342 -0.39 . . . . 3.0 110.877 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.9 m -115.49 151.09 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 3.66 110.697 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.6 m -72.77 -13.45 61.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 3.12 111.095 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -83.2 -45.01 14.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 4.51 111.276 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -66.04 -25.33 67.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 4.63 110.498 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 77.3 t -83.22 -30.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 2.92 110.72 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.59 -43.56 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 3.21 110.454 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.06 -17.29 37.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 4.23 110.743 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.11 -35.69 79.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 4.01 110.542 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.09 -30.44 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 5.4 110.795 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.39 -23.83 62.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 3.8 111.035 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.525 HD13 HD13 ' A' ' 163' ' ' LEU . 91.4 mt -81.7 162.16 23.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 3.46 111.316 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -130.32 158.49 39.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.966 -0.561 . . . . 3.16 110.962 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -54.32 -47.4 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 6.2 110.652 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 4.89 110.81 179.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.493 ' HB3' HG22 ' A' ' 241' ' ' VAL . 75.0 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 5.59 110.741 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.474 ' HE3' ' HZ3' ' A' ' 169' ' ' LYS . 88.1 mtp -65.95 -12.64 56.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 5.6 111.04 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 239' ' ' LEU . 34.1 m -86.05 -171.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 3.98 111.086 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.4 t70 71.61 44.48 0.51 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.141 0.496 . . . . 3.67 110.365 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -134.52 55.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 4.18 111.098 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -101.97 172.91 6.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 3.85 111.144 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.442 ' HD2' ' HG2' ' A' ' 106' ' ' GLU . 98.0 mtt180 -133.23 107.42 12.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 4.15 110.73 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.84 147.78 13.7 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.647 2.232 . . . . 2.75 112.774 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -130.46 136.07 48.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.984 -0.553 . . . . 3.18 110.997 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -137.79 133.6 17.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 5.96 110.819 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 31' ' ' VAL . 83.9 Cg_endo -81.48 124.89 4.85 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.514 2.143 . . . . 4.47 112.634 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.2 mm? -78.61 -48.89 14.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 4.44 110.455 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -143.36 -64.38 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 7.2 110.538 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -175.64 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 5.62 110.255 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 62.55 149.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 6.22 111.71 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -102.15 135.31 43.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 3.56 110.548 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.508 HD13 HG23 ' A' ' 33' ' ' ILE . 6.5 tt -112.04 116.01 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 2.59 111.702 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.16 163.48 22.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.325 -0.62 . . . . 3.38 109.325 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.55 146.25 8.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.472 -0.491 . . . . 1.68 112.164 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.2 t -74.52 -19.11 60.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.566 -0.743 . . . . 2.4 109.246 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.501 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 90.6 t80 -111.73 141.0 45.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.205 -0.907 . . . . 3.83 110.134 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.184 -0.912 . . . . 4.92 111.124 -179.586 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.705 0.288 . . . . 3.85 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 127.79 16.0 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.561 2.174 . . . . 3.29 112.452 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -144.34 145.88 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 2.72 111.354 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.7 115.04 3.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.515 . . . . 2.44 110.66 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 6.9 mm -50.13 128.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 1.95 111.382 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.53 111.156 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.6 m -80.31 -40.5 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.626 . . . . 2.28 110.922 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.48 -35.23 80.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 4.16 111.016 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 m -75.54 -22.7 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 2.26 110.814 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.59 155.83 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 1.59 111.034 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -123.9 142.34 51.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 4.1 111.084 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -66.5 133.6 50.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 4.34 110.818 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 258' ' ' SER . 16.7 t70 -125.68 90.98 49.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 3.04 111.113 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.24 20.86 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.668 2.246 . . . . 2.51 112.443 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -62.18 -45.7 92.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 3.54 111.073 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 82' ' ' GLY . 3.2 mm? -80.34 151.94 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 3.49 110.847 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -108.28 141.43 23.2 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.345 -0.389 . . . . 4.66 110.839 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.67 125.62 18.84 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.27 1.98 . . . . 2.89 111.853 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HB2' ' HA2' ' A' ' 81' ' ' GLY . 5.5 tp -130.87 -168.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 5.61 111.056 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.523 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 56.8 m -64.5 151.7 43.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 3.01 111.494 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.98 116.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 2.88 111.182 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 78' ' ' VAL . 36.0 m -113.7 146.01 40.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 2.94 110.813 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -174.32 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 5.23 111.194 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -64.35 -15.96 61.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 4.17 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -95.89 -10.9 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 5.15 111.06 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -54.64 126.31 23.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 2.19 111.521 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 m -112.63 139.35 48.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.165 -0.47 . . . . 2.31 111.163 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -95.94 162.46 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 2.24 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.2 tp -111.86 -38.83 4.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 4.0 111.428 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -172.98 156.64 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 5.17 110.904 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.555 HG12 HG13 ' A' ' 68' ' ' VAL . 71.5 mt -132.66 112.01 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.2 110.665 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 tp -112.91 140.56 47.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 3.06 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.4 m-20 -112.46 149.03 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 2.16 110.896 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -106.62 21.65 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 3.54 110.635 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.82 -25.6 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.835 -0.697 . . . . 2.67 112.401 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -112.79 -57.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 5.03 110.892 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.14 153.55 49.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 2.49 110.77 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 47.6 p90 -137.28 164.11 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 3.96 111.398 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -133.06 152.57 51.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.809 -0.632 . . . . 3.14 110.742 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.555 HG13 HG12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -108.08 107.12 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 2.51 110.866 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.38 140.79 29.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 3.84 111.403 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -116.63 177.37 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 4.98 110.404 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.38 134.98 39.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 3.04 110.827 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -101.33 -24.43 14.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.209 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -70.07 -15.7 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 3.52 111.038 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -157.12 145.99 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 4.49 111.013 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.35 94.31 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.84 110.653 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 44.4 mmtm -58.22 -62.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 3.74 111.347 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . . . -90.78 142.7 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 1.97 111.307 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 50' ' ' SER . 18.4 m -143.67 159.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 2.27 110.855 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 94.3 mt -131.69 117.89 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 2.78 111.105 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 90.8 mttt -131.49 153.6 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 3.11 110.519 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 47' ' ' LEU . . . 160.89 112.18 0.29 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.788 . . . . 2.5 112.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 44' ' ' LEU . . . 122.44 175.72 14.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.636 -0.792 . . . . 2.96 112.462 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.77 -6.34 18.48 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.4 2.067 . . . . 4.5 112.014 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.28 156.56 15.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.873 -0.603 . . . . 3.36 111.099 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.7 22.51 15.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 5.04 110.605 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.78 149.72 17.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.909 -0.662 . . . . 2.03 112.503 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.412 ' OG1' ' HE2' ' A' ' 80' ' ' LYS . 97.9 m -126.15 133.15 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 2.23 111.285 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.543 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 84.2 m-85 -87.05 125.56 34.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 3.57 110.502 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -102.5 147.64 26.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 4.36 111.234 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . 6.3 mp -97.95 139.08 34.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 3.01 110.682 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.488 HD11 ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -118.28 -59.05 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 2.89 111.762 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.455 ' H ' HG12 ' A' ' 91' ' ' ILE . 23.1 pt20 -159.35 160.0 34.52 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.871 0.322 . . . . 3.0 111.871 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.448 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 30.7 p90 -137.19 160.01 40.24 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.359 -0.382 . . . . 1.76 110.122 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.424 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 13.2 p-80 -132.42 167.9 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 1.36 111.723 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -117.85 145.56 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 3.9 110.379 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.402 ' HD1' ' CG ' ' A' ' 243' ' ' ASN . 14.1 m-70 -96.83 129.4 44.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 2.17 111.243 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -134.08 -177.2 4.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.87 -0.605 . . . . 6.63 110.453 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.17 162.02 29.91 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.616 -0.802 . . . . 3.04 112.614 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.1 t -107.79 8.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 4.64 110.771 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.93 159.92 19.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.934 -0.575 . . . . 5.7 110.452 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.76 105.98 15.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 5.38 111.088 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.12 -69.88 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.894 -0.669 . . . . 4.71 112.056 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 244' ' ' TRP . 25.4 mt-30 -147.91 174.77 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 5.24 110.901 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.33 -78.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.773 . . . . 2.08 112.26 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.0 p -106.92 -170.16 1.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 2.22 110.964 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 244' ' ' TRP . 35.7 tt0 -86.63 -73.2 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 2.64 110.752 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -94.89 168.16 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.79 110.366 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 113' ' ' LYS . 77.3 p -135.7 123.94 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 2.38 111.596 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.431 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 30.9 m -96.99 141.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 2.7 110.523 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 54.91 34.87 23.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.397 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 60.29 25.25 14.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.574 . . . . 3.86 111.397 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -116.56 129.66 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 4.34 110.935 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.501 ' HA ' HG23 ' A' ' 108' ' ' THR . 39.0 ttmt -97.6 155.5 16.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 3.01 111.075 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 148' ' ' LYS . 31.4 m-85 -118.64 173.91 6.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 2.48 110.735 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.94 -47.13 9.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 2.1 111.289 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.97 171.46 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 1.99 110.41 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.85 131.12 12.01 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 2.4 112.086 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.505 HD11 HD13 ' A' ' 145' ' ' ILE . 3.9 pp -90.83 148.05 22.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.144 -0.48 . . . . 2.52 109.951 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -110.7 106.85 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 1.93 111.675 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.55 HD23 HD22 ' A' ' 143' ' ' LEU . 50.1 tp -89.67 107.99 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 2.98 110.337 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.34 113.09 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 2.44 111.563 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.543 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 34.8 p80 -131.88 155.02 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 3.2 110.172 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -162.32 141.48 9.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 4.68 111.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.471 HD22 ' HB2' ' A' ' 126' ' ' LYS . 50.0 t30 -61.34 121.46 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.701 -0.681 . . . . 2.56 110.896 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -80.01 -14.84 58.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 2.19 111.457 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HB2' HD22 ' A' ' 124' ' ' ASN . 74.9 mmtt -59.16 -18.89 40.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 4.02 110.783 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.428 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 64.4 m-85 -79.21 7.5 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 4.5 110.948 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.35 -72.74 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.844 -0.693 . . . . 2.38 112.529 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -136.33 171.89 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 3.07 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -59.95 -22.77 62.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 3.61 110.991 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.46 -53.8 39.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.853 -0.689 . . . . 2.51 112.672 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 127' ' ' TYR . 23.8 tptm -73.36 -20.66 60.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 4.04 110.808 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.89 -48.12 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 2.12 111.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.44 HG22 HE21 ' A' ' 135' ' ' GLN . 28.0 m -66.64 -2.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 2.79 111.713 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.44 HE21 HG22 ' A' ' 134' ' ' VAL . 29.0 mm-40 -72.48 -15.14 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 4.15 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.89 144.5 53.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 3.37 110.646 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.91 -11.15 30.07 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 2.89 111.95 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -111.85 -4.82 14.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 2.64 111.012 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.79 28.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 1.75 112.422 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 132.54 54.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 2.23 110.392 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 144.31 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 1.5 111.108 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.79 108.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 1.88 111.043 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.614 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 9.6 tt -88.13 117.63 27.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 2.67 110.881 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 127.46 8.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.858 -0.686 . . . . 1.4 112.39 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.505 HD13 HD11 ' A' ' 118' ' ' LEU . 62.5 mt -107.02 132.42 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 2.06 110.947 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -85.79 165.69 16.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 5.19 110.867 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.9 mt -140.07 121.08 14.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 3.73 110.983 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 114' ' ' TYR . 88.1 tttt -127.93 153.76 46.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 4.63 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -87.63 152.3 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 3.58 110.629 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.88 -179.4 22.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.662 -0.78 . . . . 3.15 112.141 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 m 58.44 84.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.819 0.343 . . . . 4.35 110.334 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 4.28 111.942 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.598 ' HZ1' ' HB2' ' A' ' 157' ' ' GLN . 35.7 ttpt -58.43 117.53 21.0 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.752 -0.658 . . . . 5.57 111.264 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.22 -18.18 14.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.383 2.055 . . . . 3.3 112.117 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.13 59.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.911 -0.662 . . . . 2.71 112.488 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 95.4 mt -135.63 35.53 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 4.34 110.761 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.598 ' HB2' ' HZ1' ' A' ' 153' ' ' LYS . 52.6 tt0 -53.56 -61.86 2.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.839 -0.619 . . . . 4.04 111.326 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.42 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 5.16 111.619 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.72 -45.72 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.379 . . . . 3.48 111.391 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.424 ' O ' HD23 ' A' ' 163' ' ' LEU . 16.5 m -85.12 -14.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 3.6 111.264 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.8 -19.15 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 111.005 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.97 -17.34 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 3.02 111.814 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 160' ' ' VAL . 1.8 pt? -58.35 -22.3 52.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.741 0.305 . . . . 2.72 111.414 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -55.78 -12.55 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 2.42 110.797 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -12.13 35.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 2.22 110.875 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 166' ' ' ILE . 2.2 mp -127.62 50.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 3.02 110.609 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.624 ' HZ2' ' HB3' ' A' ' 167' ' ' LYS . 6.9 ttpm? -53.34 -47.74 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 4.14 111.121 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 41.1 p -84.78 160.57 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.413 . . . . 2.82 111.022 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 1.5 tmmt? -80.43 107.56 13.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 3.97 110.863 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.52 8.97 24.14 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.594 -0.812 . . . . 2.38 113.31 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.429 ' HB3' HG23 ' A' ' 166' ' ' ILE . 23.7 ttmm -84.48 156.54 21.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.883 0.342 . . . . 3.72 110.765 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 94.3 p -97.69 165.95 11.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 2.54 110.804 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.66 37.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 2.36 111.254 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.89 157.74 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.968 -0.56 . . . . 3.74 110.865 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -48.34 135.71 13.37 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.045 -0.525 . . . . 5.29 111.175 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.3 t -162.61 -172.4 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 5.01 110.824 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 57.33 49.41 13.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.972 0.415 . . . . 7.01 110.705 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -92.0 136.92 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 5.44 110.945 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.14 90.92 25.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 3.92 111.023 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.19 -47.48 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.361 2.041 . . . . 5.03 112.252 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 183' ' ' LEU . 15.9 ptm180 -65.99 -18.09 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 9.4 110.698 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -78.97 26.35 2.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 3.43 112.475 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 181' ' ' ARG . 3.6 pp -77.98 9.33 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 6.25 111.032 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.2 127.23 90.7 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 5.0 110.757 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.95 131.78 46.29 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.382 2.055 . . . . 4.45 112.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.61 -16.34 54.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 6.38 111.178 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 37.6 t 60.71 175.24 0.1 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.203 -0.453 . . . . 5.39 110.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.14 110.07 22.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.472 -0.331 . . . . 4.68 110.658 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.9 p30 176.89 118.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.905 -0.589 . . . . 3.78 110.264 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -169.86 161.8 9.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.756 0.313 . . . . 3.57 110.813 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.602 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.5 m-90 -105.37 122.53 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 4.84 110.112 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.409 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -127.54 171.24 11.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 2.03 111.599 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -159.35 130.21 3.73 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 3.02 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.517 ' HA ' HG21 ' A' ' 207' ' ' THR . 73.9 Cg_exo -50.45 127.73 21.27 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.47 2.113 . . . . 1.7 112.491 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -116.19 37.96 3.22 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.742 -0.742 . . . . 1.85 112.964 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 110.553 -0.166 . . . . 2.97 110.553 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 203' ' ' LEU . 2.3 pt? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.05 0.453 . . . . 5.45 111.183 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -124.93 20.96 8.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 3.98 110.36 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 80.0 m -100.55 29.39 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 3.13 110.58 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.74 112.46 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.783 -0.644 . . . . 2.42 110.88 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.517 HG21 ' HA ' ' A' ' 194' ' ' PRO . 22.6 m -112.49 145.33 40.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.45 -0.341 . . . . 1.8 110.796 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -95.74 108.35 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 3.11 110.702 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.614 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.9 mp -108.77 142.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 2.13 110.944 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 26.2 t -138.03 116.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 2.73 111.116 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.86 155.7 15.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.382 -0.372 . . . . 4.37 110.71 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -48.06 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 6.2 110.677 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.99 88.76 8.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 5.91 110.814 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.92 153.93 71.79 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.516 2.144 . . . . 4.22 112.515 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.07 142.56 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 4.88 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -136.75 155.3 50.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 3.8 111.519 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.36 169.39 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.818 -0.628 . . . . 3.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.9 t -107.09 154.14 21.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.5 -0.318 . . . . 3.66 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 54.2 m -55.61 -22.0 20.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 3.12 110.818 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . 0.401 ' HG2' ' HZ3' ' A' ' 153' ' ' LYS . 11.1 tp10 -85.5 -32.81 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 4.51 110.604 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.55 -32.43 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 4.63 110.419 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.93 -26.75 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 2.92 110.614 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.558 HD13 ' HD3' ' A' ' 226' ' ' ARG . 48.0 tp -56.28 -34.46 66.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 3.21 110.477 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.87 -28.92 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 4.23 110.381 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.58 -25.9 62.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 4.01 110.707 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.558 ' HD3' HD13 ' A' ' 223' ' ' LEU . 42.6 mtp180 -60.35 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 5.4 110.486 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.69 -26.15 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 3.8 110.409 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.84 162.19 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 3.46 110.789 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -131.9 156.94 45.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 3.16 111.204 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.406 ' HB2' ' HG2' ' A' ' 240' ' ' MET . 41.1 t80 -97.93 3.36 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.76 -0.655 . . . . 6.2 110.598 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . 0.527 ' HA ' ' HE2' ' A' ' 169' ' ' LYS . 8.5 p30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 4.89 111.373 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.649 0.261 . . . . 5.59 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.406 ' HG2' ' HB2' ' A' ' 230' ' ' PHE . 54.7 mtt -127.67 42.18 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 5.6 111.232 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 6.6 p -176.17 136.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.094 0.474 . . . . 3.98 111.641 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -161.16 26.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 3.67 110.67 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.402 ' CG ' ' HD1' ' A' ' 96' ' ' HIS . 53.5 m-80 -96.59 56.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 4.18 111.258 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . 0.564 ' HA ' ' HA ' ' A' ' 106' ' ' GLU . 65.6 p-90 -101.73 155.74 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 3.85 110.91 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -140.8 151.69 63.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 4.15 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.1 162.33 16.94 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.413 2.075 . . . . 2.75 111.802 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.05 41.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 3.18 111.118 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.82 133.16 93.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 5.96 110.99 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.12 123.93 6.4 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.359 2.039 . . . . 4.47 112.39 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.3 mm? -80.0 -48.83 12.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 4.44 110.788 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.95 -63.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 7.2 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -171.13 -54.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 5.62 110.885 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 63.15 168.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 6.22 111.108 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -124.08 124.28 42.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 3.56 111.284 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 27.2 mm -84.09 106.87 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 2.59 111.176 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -77.13 92.23 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 3.38 110.191 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.68 111.507 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 41' ' ' ASP . 48.0 t -90.23 -27.12 19.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.872 -0.604 . . . . 2.4 110.482 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -111.96 158.34 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.865 -0.607 . . . . 3.83 110.544 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . 0.624 ' HZ1' ' HB3' ' A' ' 260' ' ' LYS . 7.6 ttpm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.164 -0.922 . . . . 4.92 111.232 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.363 0.125 . . . . 3.85 111.087 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.7 133.35 32.66 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.813 2.342 . . . . 3.29 112.141 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 250' ' ' LEU . 90.6 t -121.92 154.36 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.073 -0.512 . . . . 2.72 110.773 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -88.4 98.54 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 2.44 110.116 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 HG13 ' A' ' 255' ' ' ILE . 3.0 mp -78.6 136.49 23.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 1.95 111.146 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 37' ' ' THR . 3.6 m-20 -110.55 129.21 55.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 1.53 110.889 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -80.28 -18.51 49.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 2.28 111.212 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -81.76 -38.68 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 4.16 111.674 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 34' ' ' ASP . 6.2 t -84.84 -17.22 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.703 0.287 . . . . 2.26 111.521 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 155.83 12.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.405 . . . . 1.59 111.226 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -124.13 132.87 53.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 4.1 110.69 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -73.87 134.87 43.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 4.34 110.987 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.42 90.94 42.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 3.04 110.685 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.17 52.11 3.55 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.643 2.229 . . . . 2.51 112.69 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -68.97 -45.0 71.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 3.54 110.816 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.29 142.04 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 3.49 110.922 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.604 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -108.44 151.5 41.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 4.66 110.974 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG3' HD12 ' A' ' 188' ' ' LEU . 35.5 Cg_endo -65.21 125.9 15.4 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.182 1.921 . . . . 2.89 111.359 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.11 -64.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 5.61 111.638 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -135.36 110.01 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 3.01 111.272 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG23 HD11 ' A' ' 79' ' ' LEU . 49.1 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 2.88 110.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 m -110.91 143.68 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 2.94 110.801 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -173.23 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 5.23 110.68 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.98 -20.56 65.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 4.17 109.803 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -98.06 -13.61 20.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.649 -0.705 . . . . 5.15 110.296 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.39 161.38 7.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 2.19 111.13 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 m -128.14 136.27 50.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 2.31 111.142 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.3 p -87.15 175.44 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 2.24 110.759 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.64 -39.09 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 4.0 110.705 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -174.18 158.02 2.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 5.17 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.3 mt -131.46 103.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 2.2 110.769 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.5 tp -113.76 149.9 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 3.06 110.597 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.45 HD22 HG23 ' A' ' 166' ' ' ILE . 15.4 m-80 -103.7 150.51 23.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 2.16 111.047 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -106.39 21.91 16.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.54 111.329 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.35 11.98 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.556 -0.831 . . . . 2.67 112.604 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -177.85 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.577 0.227 . . . . 5.03 111.432 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.04 179.23 4.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 2.49 111.197 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HB2' ' HD1' ' A' ' 95' ' ' PHE . 62.1 m-85 -120.07 145.95 46.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 3.96 110.491 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.9 104.91 6.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.497 -0.32 . . . . 3.14 110.457 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.14 138.29 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 2.51 111.362 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -125.2 170.34 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 3.84 110.967 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -115.14 155.75 26.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 4.98 110.791 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.63 135.36 48.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 3.04 110.753 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.99 16.24 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 3.88 110.923 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.7 t -54.1 -39.35 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 3.52 110.895 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -166.91 -70.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.299 -0.409 . . . . 4.49 110.89 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -174.77 156.18 2.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 2.84 110.759 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 73.8 mmtt -145.13 -74.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 3.74 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.3 131.52 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.97 111.065 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.44 156.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 2.27 110.921 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 56.2 tp -128.4 134.17 48.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.342 . . . . 2.78 110.947 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -155.3 143.46 20.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 3.11 110.696 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.96 -176.38 33.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 2.5 112.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.01 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.811 -0.709 . . . . 2.96 112.744 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -10.22 28.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.403 2.069 . . . . 4.5 112.32 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.65 130.83 44.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.519 . . . . 3.36 110.809 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -111.47 58.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 5.04 110.538 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.71 108.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.895 -0.669 . . . . 2.03 112.404 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.1 p -80.95 156.14 26.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 2.23 111.309 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.608 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 89.4 m-85 -125.88 126.68 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 3.57 110.636 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 122' ' ' HIS . 80.5 mtm180 -103.3 129.26 50.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.587 -0.279 . . . . 4.36 110.875 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 mt -82.69 140.44 33.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.421 -0.354 . . . . 3.01 110.564 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 122' ' ' HIS . 3.1 mm -103.82 -69.95 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.275 -0.421 . . . . 2.89 111.919 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -159.24 168.39 26.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.712 -0.222 . . . . 3.0 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.509 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 47.6 p90 -155.79 155.58 33.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.065 0.459 . . . . 1.76 111.731 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.4 p-80 -125.86 168.19 14.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.403 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' HD1' ' HB2' ' A' ' 66' ' ' PHE . 86.7 m-85 -114.71 146.56 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 3.9 111.974 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.5 ' ND1' ' HB3' ' A' ' 243' ' ' ASN . 15.3 m-70 -105.51 168.26 9.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.875 -0.602 . . . . 2.17 110.215 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.63 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 97.6 m95 -140.23 158.96 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 6.63 111.156 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.54 113.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.86 -0.609 . . . . 3.04 112.21 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.3 m -85.7 -22.39 27.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.689 0.28 . . . . 4.64 111.326 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.502 ' HG ' ' H ' ' A' ' 102' ' ' GLY . 21.0 tp -88.2 140.38 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 5.7 110.981 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.36 1.32 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 5.38 110.665 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.502 ' H ' ' HG ' ' A' ' 100' ' ' LEU . . . -117.11 -9.48 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.907 -0.663 . . . . 4.71 112.323 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -138.98 147.63 42.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 5.24 110.781 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.39 -61.86 0.12 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.8 -0.714 . . . . 2.08 112.548 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 63.6 m -109.13 163.67 13.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.599 0.238 . . . . 2.22 110.965 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.99 -77.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.447 -0.342 . . . . 2.64 111.174 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.0 166.57 22.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 2.79 111.099 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 113' ' ' LYS . 67.1 p -142.33 108.76 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 2.38 111.09 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.8 m -87.53 150.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.833 0.349 . . . . 2.7 110.991 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 t70 53.53 32.25 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 2.18 110.776 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 60.56 25.5 15.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.981 -0.554 . . . . 3.86 111.512 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -124.65 138.41 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 4.34 111.225 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.627 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 4.3 ttmp? -100.77 154.37 18.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.071 -0.513 . . . . 3.01 110.627 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -110.02 156.45 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 2.48 111.02 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.06 -21.29 20.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 2.1 111.935 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.01 144.81 28.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 1.99 111.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' H ' ' HB2' ' A' ' 96' ' ' HIS . 32.9 tt0 -152.65 133.32 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 2.4 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 145' ' ' ILE . 4.2 pp -86.96 148.03 25.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 2.52 110.907 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.49 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -120.07 99.88 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 1.93 111.254 -179.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 143' ' ' LEU . 2.8 tt -99.9 116.88 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 2.98 110.492 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.92 109.89 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 2.44 110.721 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.548 ' HA ' HG12 ' A' ' 91' ' ' ILE . 18.8 p80 -126.94 150.89 49.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 3.2 110.886 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -131.85 152.44 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 4.68 110.996 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.449 ' HB3' ' HG2' ' A' ' 126' ' ' LYS . 2.2 m-20 -58.71 149.67 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.543 . . . . 2.56 111.135 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -81.62 -15.03 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.758 -0.655 . . . . 2.19 111.336 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.449 ' HG2' ' HB3' ' A' ' 124' ' ' ASN . 21.4 ptmt -67.41 -36.16 80.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.437 -0.347 . . . . 4.02 111.033 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.481 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 61.2 m-85 -79.62 -29.71 41.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.366 -0.379 . . . . 4.5 110.673 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.21 -18.16 1.26 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.962 -0.637 . . . . 2.38 113.366 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.5 m-20 -142.02 145.31 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 3.07 111.051 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -67.38 -21.89 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.63 . . . . 3.61 110.825 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.66 -41.49 74.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 2.51 112.138 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -81.39 -17.51 48.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.021 0.438 . . . . 4.04 110.291 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.95 27.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 2.12 111.049 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -0.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 2.79 111.436 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.47 -27.29 62.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 4.15 110.982 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -122.92 151.83 61.78 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 3.37 111.024 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.34 -50.65 9.19 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.381 2.054 . . . . 2.89 111.786 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.64 1.41 34.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 2.64 110.824 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.481 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -48.97 -58.46 7.72 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.053 -0.594 . . . . 1.75 112.862 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.21 153.95 51.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 2.23 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -121.52 165.23 15.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.094 -0.503 . . . . 1.5 110.93 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.42 117.93 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 1.88 111.724 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 120' ' ' LEU . 95.2 mt -86.19 116.92 24.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.331 -0.395 . . . . 2.67 110.342 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.96 111.92 1.06 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.487 -0.863 . . . . 1.4 112.769 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.579 HD12 HD23 ' A' ' 118' ' ' LEU . 59.6 mt -92.49 120.82 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.309 . . . . 2.06 110.908 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -73.48 90.74 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 5.19 110.725 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.32 135.67 47.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 3.73 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.535 ' HB3' HD12 ' A' ' 215' ' ' ILE . 27.6 tptp -131.27 146.01 52.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 4.63 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.5 t -81.13 117.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 3.58 111.037 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.49 69.68 0.07 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.756 -0.735 . . . . 3.15 112.781 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' A' ' 217' ' ' VAL . 45.8 t -149.54 155.01 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 4.35 110.959 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.87 166.48 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.535 . . . . 4.28 111.095 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.506 ' HZ1' ' HA ' ' A' ' 157' ' ' GLN . 40.7 ttmt -104.98 136.44 19.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 5.57 110.711 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.43 18.23 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.408 2.072 . . . . 3.3 112.711 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 83.16 47.51 5.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 2.71 112.787 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.65 24.81 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.023 0.439 . . . . 4.34 110.411 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.506 ' HA ' ' HZ1' ' A' ' 153' ' ' LYS . 13.2 pt20 -59.16 -27.57 65.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.728 -0.669 . . . . 4.04 111.34 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -69.49 -33.73 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 5.16 110.896 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.3 -32.61 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 3.48 111.482 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.3 -19.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 3.6 111.276 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.8 -19.2 38.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 3.01 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 35.0 m -54.89 -17.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 3.02 112.243 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.5 -21.14 62.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 2.72 111.127 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.33 -14.32 4.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 2.42 110.631 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -86.24 -35.76 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 2.22 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 171' ' ' LYS . 3.2 mp -106.13 51.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.976 0.417 . . . . 3.02 110.676 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 228' ' ' LEU . 98.4 mttt -55.09 -48.4 73.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 4.14 110.577 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 53.3 p -101.23 161.14 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 2.82 110.599 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 169' ' ' LYS . 0.0 OUTLIER -78.82 147.86 33.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 3.97 110.582 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.52 -21.18 19.66 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.77 . . . . 2.38 112.638 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 166' ' ' ILE . 56.1 tptt -88.04 142.08 28.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 3.72 110.404 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.6 m -96.98 171.27 8.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 2.54 110.779 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.403 ' HB1' HD12 ' A' ' 166' ' ' ILE . . . -151.94 134.68 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 2.36 111.175 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 157.86 37.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -48.12 138.24 9.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.972 -0.558 . . . . 5.29 111.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.1 t -145.65 -172.8 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 5.01 110.827 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.69 55.73 3.87 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.884 0.373 . . . . 7.01 111.036 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -96.06 109.54 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 5.44 110.812 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -149.9 83.22 6.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 3.92 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.33 -12.78 37.1 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.47 2.113 . . . . 5.03 112.76 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -71.78 -25.14 61.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 9.4 110.788 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -86.02 37.03 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 3.43 112.419 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.75 -15.4 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 6.25 110.603 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.65 128.94 80.76 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 5.0 110.551 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.32 136.82 10.21 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.4 2.067 . . . . 4.45 112.558 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.5 -12.01 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 6.38 110.62 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 78.4 p -155.89 159.18 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 5.39 110.692 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.502 HD12 ' HG3' ' A' ' 46' ' ' PRO . 38.9 tp -130.66 100.84 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 4.68 111.039 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -174.02 163.42 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 3.78 110.726 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -139.8 179.9 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.395 . . . . 3.57 110.763 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.445 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 12.7 t-105 -166.3 132.82 2.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 4.84 110.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.0 t -136.15 145.34 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 2.03 111.679 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 194' ' ' PRO . 80.7 t80 -158.98 88.74 2.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.992 -0.549 . . . . 3.02 110.557 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 193' ' ' TYR . 10.9 Cg_endo -54.23 149.12 37.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.641 2.227 . . . . 1.7 112.44 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -149.71 174.43 29.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.885 -0.674 . . . . 1.85 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.953 0.406 . . . . 2.97 110.984 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.98 0.419 . . . . 5.45 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.0 86.27 7.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.956 -0.565 . . . . 3.98 110.543 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 86.3 m -135.41 23.03 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 3.13 110.871 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.49 126.2 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.571 . . . . 2.42 111.163 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 13.5 m -113.25 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.403 -0.362 . . . . 1.8 110.801 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -98.06 108.12 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 3.11 111.095 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 143' ' ' LEU . 4.1 mm -108.23 157.47 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.847 -0.615 . . . . 2.13 110.887 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 57.0 t -127.0 99.28 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 2.73 110.982 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 145' ' ' ILE . 96.5 mt -63.92 167.98 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 4.37 111.204 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -88.03 -6.69 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 6.2 111.036 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 145' ' ' ILE . 14.7 tp10 -57.55 134.89 82.22 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.265 -0.425 . . . . 5.91 110.866 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . 0.415 ' HD2' ' OE1' ' A' ' 213' ' ' GLU . 14.5 Cg_endo -56.52 150.27 52.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.663 2.242 . . . . 4.22 112.624 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 148' ' ' LYS . 28.9 pt -86.23 172.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 4.88 111.272 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 47.6 t -47.75 172.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.072 -0.513 . . . . 3.8 111.847 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' A' ' 151' ' ' SER . 26.9 m -98.82 177.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 3.0 111.538 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 42.4 t -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 3.66 111.104 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.5 p -67.99 -16.66 64.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 3.12 110.579 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -85.9 -22.13 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 4.51 110.384 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.26 -15.43 35.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 4.63 111.298 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 225' ' ' PHE . 34.9 m -89.1 30.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.513 -0.312 . . . . 2.92 111.734 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.22 -43.66 83.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.861 0.362 . . . . 3.21 110.897 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 4.23 110.786 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . 0.615 ' HB2' ' HB ' ' A' ' 222' ' ' VAL . 48.3 m-85 -70.47 -17.43 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 4.01 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.51 -11.18 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 5.4 110.975 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -86.54 -3.84 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 3.8 110.908 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 167' ' ' LYS . 97.7 mt -93.44 162.04 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.519 . . . . 3.46 111.335 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.83 -159.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 3.16 110.494 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 239' ' ' LEU . 7.4 m-85 -47.67 -28.63 2.5 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.701 0.26 . . . . 6.2 111.701 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 111.889 0.329 . . . . 4.89 111.889 -179.42 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 230' ' ' PHE . 90.7 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.655 0.264 . . . . 5.59 110.801 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -85.65 -12.63 50.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.926 0.394 . . . . 5.6 110.787 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.9 146.78 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.937 -0.574 . . . . 3.98 111.119 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.58 -40.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 3.67 110.424 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.63 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 10.7 m120 -100.2 55.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 4.18 110.686 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -96.99 144.14 27.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 3.85 111.116 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -141.16 118.36 7.69 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.808 -0.633 . . . . 4.15 110.992 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.44 169.63 18.07 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.29 1.994 . . . . 2.75 112.217 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -146.58 161.9 39.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.392 . . . . 3.18 111.601 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.72 143.64 41.24 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.074 -0.512 . . . . 5.96 110.665 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.49 123.74 3.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.533 2.155 . . . . 4.47 112.634 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . 0.412 ' HB2' HG11 ' A' ' 31' ' ' VAL . 48.6 tp -80.27 -43.61 21.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 4.44 110.973 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm 69.91 9.04 6.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.685 -0.689 . . . . 7.2 110.825 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -139.46 176.58 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 5.62 111.005 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 65.37 145.25 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.034 -0.53 . . . . 6.22 111.653 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -102.97 152.53 21.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.863 -0.608 . . . . 3.56 110.719 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.513 HG13 HG23 ' A' ' 33' ' ' ILE . 2.5 mm -90.73 146.27 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 2.59 111.174 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -125.81 89.34 3.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 3.38 110.66 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.14 173.98 6.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 1.68 111.489 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.3 t -78.66 -39.47 36.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 2.4 110.566 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.74 138.68 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 3.83 110.669 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.086 -0.959 . . . . 4.92 111.369 -179.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.568 0.223 . . . . 3.85 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 246' ' ' PRO . 74.4 Cg_endo -76.01 132.75 14.41 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.472 2.115 . . . . 3.29 112.091 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.87 141.27 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 2.72 110.762 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 6.7 p-10 -92.57 99.04 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 2.44 111.028 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.478 HG12 HD12 ' A' ' 255' ' ' ILE . 3.9 mp -80.63 127.31 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.514 . . . . 1.95 110.758 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.582 ' HB2' HG22 ' A' ' 37' ' ' THR . 7.0 m-20 -112.15 129.56 56.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.53 111.016 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p -56.75 -26.34 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.615 -0.721 . . . . 2.28 111.594 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.48 -40.75 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 4.16 110.982 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 34' ' ' ASP . 11.7 t -87.04 -10.1 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 2.26 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.558 ' HA ' HG22 ' A' ' 255' ' ' ILE . . . -62.6 157.34 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 1.59 111.048 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -140.69 118.37 11.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 4.1 111.025 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -72.28 136.36 46.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 4.34 110.623 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -115.96 94.33 41.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 3.04 111.167 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.22 27.63 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.448 2.099 . . . . 2.51 112.239 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -79.03 -0.11 29.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 3.54 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.07 139.87 32.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 3.49 110.76 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 24.7 mtpp -91.08 157.01 43.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 4.66 110.621 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 11.3 Cg_endo -54.74 157.68 12.16 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.486 2.124 . . . . 2.89 112.333 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.0 pt? -125.66 134.52 51.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 5.61 111.074 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.3 m -80.54 151.85 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.968 -0.56 . . . . 3.01 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.31 143.44 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 2.88 111.139 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -113.45 136.34 52.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 2.94 110.949 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -165.59 33.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 5.23 111.304 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.81 -23.33 31.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 4.17 110.258 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -95.64 -12.12 26.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.738 -0.664 . . . . 5.15 110.625 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -48.91 120.52 3.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.207 -0.451 . . . . 2.19 111.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -90.85 128.95 36.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 2.31 111.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -170.75 105.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 2.24 110.38 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.6 mp -102.09 -39.14 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.62 -0.264 . . . . 4.0 111.247 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 20.7 tpt180 -176.37 165.35 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 5.17 110.758 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 42.4 pt -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 2.2 110.938 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.8 tp -92.63 147.35 22.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 3.06 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.18 157.06 16.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 2.16 110.62 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -106.3 17.59 23.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 3.54 111.491 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.13 0.51 61.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 2.67 111.961 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -137.44 -58.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 5.03 110.406 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.9 149.41 36.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 2.49 110.671 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -126.21 138.22 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.041 0.448 . . . . 3.96 111.452 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -121.64 153.05 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 3.14 110.078 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' HA ' HG22 ' A' ' 59' ' ' ILE . 29.9 m -91.24 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 2.51 111.292 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.42 107.19 8.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 3.84 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -93.37 141.64 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 4.98 110.629 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.04 136.55 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 3.04 110.578 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -132.36 23.43 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 3.88 110.821 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.1 p -59.02 -39.43 81.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 3.52 111.306 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.428 ' HG2' ' HZ1' ' A' ' 76' ' ' LYS . 4.0 pt20 -135.25 28.9 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 4.49 111.512 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 59.13 88.39 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 2.84 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 47.3 mmtm -73.85 -73.84 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 3.74 110.995 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' HB1' ' A' ' 54' ' ' ALA . . . -101.09 152.62 20.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.939 -0.573 . . . . 1.97 111.322 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 79' ' ' LEU . 8.9 p -146.51 165.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 2.27 110.717 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' N ' HG22 ' A' ' 78' ' ' VAL . 19.8 tp -134.52 122.08 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.525 -0.307 . . . . 2.78 110.736 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.627 ' HD2' ' HB ' ' A' ' 87' ' ' THR . 82.6 tttt -159.31 138.43 11.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 3.11 111.06 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' HB2' ' A' ' 47' ' ' LEU . . . 175.6 -155.09 19.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.822 -0.704 . . . . 2.5 112.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.79 -158.19 8.31 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.743 -0.741 . . . . 2.96 112.761 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.6 -41.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.685 2.257 . . . . 4.5 112.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.15 156.26 15.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 3.36 111.19 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.72 18.83 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 5.04 110.707 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.96 82.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 2.03 112.259 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.627 ' HB ' ' HD2' ' A' ' 80' ' ' LYS . 9.8 t -57.98 136.96 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 2.23 111.436 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.588 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 77.6 m-85 -111.42 131.24 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 3.57 110.678 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 122' ' ' HIS . 16.7 ptm180 -97.81 144.37 27.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 4.36 110.834 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.639 HD21 ' H ' ' A' ' 90' ' ' LEU . 1.7 pt? -100.09 142.89 30.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 3.01 110.598 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.547 HD11 ' N ' ' A' ' 91' ' ' ILE . 3.9 mp -113.78 -70.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 2.89 111.493 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.11 172.17 18.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.76 0.314 . . . . 3.0 111.109 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -152.95 159.25 42.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 1.76 111.355 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 4.5 p-80 -128.3 166.17 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.736 -0.666 . . . . 1.36 110.18 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -111.25 150.15 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 3.9 110.38 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -96.31 145.95 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 2.17 110.961 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB3' ' HA ' ' A' ' 241' ' ' VAL . 7.3 m-90 -63.37 136.93 57.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 6.63 111.087 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 241' ' ' VAL . . . 179.59 108.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.96 -0.638 . . . . 3.04 112.25 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.568 ' H ' HG13 ' A' ' 241' ' ' VAL . 47.0 t -91.97 -35.27 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 4.64 111.075 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.7 mt -88.73 150.95 22.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 5.7 111.129 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -93.65 -0.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 5.38 110.855 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.83 -17.02 36.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.784 -0.722 . . . . 4.71 111.94 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 3.8 pt20 -139.45 148.17 42.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.681 0.277 . . . . 5.24 110.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.68 -60.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.524 -0.846 . . . . 2.08 112.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -80.8 168.75 18.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 2.22 111.11 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.68 16.92 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 2.64 110.927 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.408 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 50.0 m80 -143.52 169.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 2.79 110.618 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.415 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 42.8 m -137.26 80.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 2.38 111.318 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.467 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 26.0 m -84.66 148.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 2.7 110.521 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 32.74 21.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 2.18 110.404 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 59.35 22.5 10.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 3.86 111.062 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -136.36 151.68 49.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 4.34 110.807 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.65 ' HB2' ' HZ1' ' A' ' 113' ' ' LYS . 4.8 ttmp? -114.79 133.7 55.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 3.01 110.55 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -71.72 166.5 21.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 2.48 110.852 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.37 -28.09 22.4 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 2.1 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -175.4 176.23 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 1.99 110.822 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.35 152.84 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 2.4 111.104 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD11 ' HB ' ' A' ' 145' ' ' ILE . 67.4 mt -88.89 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 2.52 111.086 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 95.42 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 1.93 111.259 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 143' ' ' LEU . 40.9 tp -102.34 136.26 42.49 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.194 -0.298 . . . . 2.98 110.194 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.497 HG23 HD13 ' A' ' 91' ' ' ILE . 22.1 m -112.4 147.56 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 2.44 111.73 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 31.8 m-70 -131.69 152.65 50.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.2 110.677 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -137.85 149.63 46.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.076 0.465 . . . . 4.68 111.096 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -76.09 111.83 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.708 -0.678 . . . . 2.56 110.529 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 t -84.67 -14.98 46.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.293 -0.412 . . . . 2.19 111.958 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -63.27 -32.23 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 4.02 110.854 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.09 -17.06 47.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 4.5 111.148 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.17 -26.41 19.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 2.38 113.17 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -143.25 146.83 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 3.07 111.233 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 134' ' ' VAL . 42.5 p90 -65.26 -21.27 66.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 3.61 110.79 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.05 95.96 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.512 -0.852 . . . . 2.51 111.768 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.72 -17.32 59.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 4.04 110.246 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.29 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 2.12 110.446 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 130' ' ' PHE . 8.5 t -77.14 -2.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 2.79 110.67 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.1 -15.43 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 4.15 110.764 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -147.43 152.98 43.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.37 110.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.67 -10.83 29.62 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.552 2.168 . . . . 2.89 112.573 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.06 9.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 2.64 110.778 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.55 -16.32 40.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.816 -0.706 . . . . 1.75 112.308 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 140' ' ' LEU . 1.1 pt? -140.14 126.22 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 2.23 110.825 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.36 160.71 24.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 1.5 111.006 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.72 112.16 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.88 111.242 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 120' ' ' LEU . 50.8 tp -90.24 144.35 25.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 2.67 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -120.82 125.95 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.937 -0.649 . . . . 1.4 112.221 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.464 ' HB ' HD11 ' A' ' 118' ' ' LEU . 63.5 mt -119.17 140.07 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 2.06 111.223 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.9 82.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.981 -0.554 . . . . 5.19 111.204 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 3.73 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -112.45 156.49 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 4.63 110.826 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.23 126.09 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 3.58 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -176.33 -102.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.421 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.4 t -160.42 -177.43 6.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.756 0.312 . . . . 4.35 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.27 -52.69 5.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 4.28 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -106.3 151.4 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 5.57 111.058 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.71 1.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.684 2.256 . . . . 3.3 112.474 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.7 -48.66 3.37 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.722 -0.751 . . . . 2.71 112.831 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 65.4 mt 60.69 29.08 18.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.359 . . . . 4.34 110.904 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.26 -56.99 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 4.04 110.76 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -71.45 -20.65 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 5.16 110.736 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.99 -22.85 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 3.48 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.49 -37.38 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 3.6 111.08 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.74 -47.1 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 3.01 110.993 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 166' ' ' ILE . 27.7 m -76.03 -26.26 17.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 3.02 111.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 164' ' ' ASP . 2.5 tt -65.4 -52.8 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 2.72 111.234 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.447 ' N ' HD21 ' A' ' 163' ' ' LEU . 17.7 t70 -54.93 -17.66 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 2.42 110.592 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.6 t -85.81 -42.17 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 2.22 110.526 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.573 HG21 ' HB2' ' A' ' 173' ' ' ALA . 23.6 pt -94.14 45.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 3.02 111.236 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.64 -48.44 66.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 4.14 110.711 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.8 p -107.79 148.42 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.763 -0.653 . . . . 2.82 110.626 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -63.48 139.24 58.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.742 0.306 . . . . 3.97 110.583 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 102.39 2.23 50.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.811 -0.709 . . . . 2.38 112.587 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -109.57 152.04 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 3.72 111.007 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.6 p -105.35 162.57 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 2.54 110.612 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.573 ' HB2' HG21 ' A' ' 166' ' ' ILE . . . -129.08 130.51 46.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 2.36 111.149 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.39 114.64 3.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.435 -0.348 . . . . 3.74 110.982 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -154.63 139.64 17.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 5.29 110.754 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 t -160.36 -173.86 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 5.01 110.751 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 54.35 56.74 6.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.056 0.455 . . . . 7.01 110.695 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -87.42 143.93 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 5.44 111.038 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.46 89.67 13.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.537 . . . . 3.92 111.042 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 -8.09 17.62 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.501 2.134 . . . . 5.03 112.561 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.06 -19.36 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 9.4 110.783 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -76.5 -11.18 85.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 3.43 112.544 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.83 18.21 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 6.25 110.583 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 185' ' ' PRO . 51.9 tp -64.84 117.25 36.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 5.0 111.112 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . 0.504 ' HB3' ' HD3' ' A' ' 214' ' ' PRO . 89.3 Cg_endo -80.8 133.84 9.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.506 2.137 . . . . 4.45 112.456 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.68 -10.62 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 6.38 110.849 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.9 m -121.61 156.53 32.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 5.39 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.28 144.34 44.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 4.68 111.0 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -176.7 144.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.514 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.687 ' HH ' ' HD3' ' A' ' 212' ' ' LYS . 84.5 m-85 -135.04 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 3.57 110.724 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.577 ' HA ' ' HB2' ' A' ' 257' ' ' ALA . 74.5 t90 -176.24 114.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 4.84 110.23 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.441 ' HG1' ' H ' ' A' ' 193' ' ' TYR . 4.5 t -129.16 163.95 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 2.03 111.5 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . 0.441 ' H ' ' HG1' ' A' ' 192' ' ' THR . 53.3 t80 -146.73 75.62 12.0 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 3.02 110.671 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.78 136.56 6.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.661 2.241 . . . . 1.7 112.307 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 153.31 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.654 -0.784 . . . . 1.85 112.671 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' SER . . . . . 0.56 ' HA ' HD11 ' A' ' 203' ' ' LEU . 77.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 2.97 111.256 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 196' ' ' SER . 2.1 pp . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.819 0.342 . . . . 5.45 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.77 3.16 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 3.98 111.012 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.7 m -148.01 47.58 1.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 3.13 111.52 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.35 122.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.94 0.4 . . . . 2.42 111.718 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 91.6 m -113.3 140.56 47.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 1.8 110.438 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -100.64 115.54 30.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 3.11 110.966 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 209' ' ' ILE . 4.4 mp -117.21 155.2 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 2.13 110.741 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.37 139.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 2.73 110.853 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.73 132.78 46.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 4.37 110.834 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.687 ' HD3' ' HH ' ' A' ' 190' ' ' TYR . 63.3 pttt -71.33 -9.95 58.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.248 -0.433 . . . . 6.2 111.228 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -70.67 162.18 72.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 5.91 110.759 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 185' ' ' PRO . 78.7 Cg_exo -48.1 142.49 15.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.397 2.065 . . . . 4.22 112.507 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 20.0 mt -79.92 149.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 4.88 111.44 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' SER . . . . . 0.486 ' HG ' ' H ' ' A' ' 217' ' ' VAL . 40.8 t -65.18 173.21 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 3.8 110.718 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.486 ' H ' ' HG ' ' A' ' 216' ' ' SER . 31.2 m -99.04 177.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 3.0 110.76 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.0 t -102.72 170.8 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 3.66 111.554 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 45.0 t -52.59 -37.99 59.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 3.12 110.903 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.74 -29.5 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 4.51 111.265 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.98 -21.37 24.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 4.63 111.347 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 18.2 m -117.04 31.06 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 2.92 111.676 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.54 -28.13 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 3.21 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 34.8 mtmm -86.46 -22.88 26.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 4.23 111.133 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . 0.6 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 78.4 t80 -84.07 -29.81 26.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 4.01 110.945 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 226' ' ' ARG . 2.8 mmp_? -69.62 -1.05 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 5.4 111.611 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 96.1 mttt -69.91 -8.86 52.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.702 0.287 . . . . 3.8 111.099 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.13 161.92 6.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.411 . . . . 3.46 111.127 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -93.27 139.87 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 3.16 111.047 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -89.5 3.46 52.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 6.2 110.851 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 4.89 110.6 -179.517 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 242' ' ' ASP . 61.0 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.599 0.238 . . . . 5.59 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 61.8 mtt -47.12 -64.12 0.86 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.19 -0.459 . . . . 5.6 111.007 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.568 HG13 ' H ' ' A' ' 99' ' ' SER . 2.3 p -141.47 144.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 3.98 111.434 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . 0.422 ' HB3' HD22 ' A' ' 239' ' ' LEU . 5.1 p-10 -162.76 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.704 . . . . 3.67 110.081 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.51 56.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 4.18 110.692 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -97.0 167.9 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 3.85 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -136.74 158.11 73.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 4.15 111.086 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' PRO . 50.3 Cg_exo -54.37 173.13 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.478 2.119 . . . . 2.75 112.465 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -145.13 31.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.18 110.97 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -69.01 119.27 68.76 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.162 -0.472 . . . . 5.96 110.955 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.57 136.5 21.46 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.369 2.046 . . . . 4.47 112.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 49.7 mt -80.17 -48.92 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 4.44 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -177.0 -63.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 7.2 110.542 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . 0.42 HD22 HG23 ' A' ' 37' ' ' THR . 3.8 t-20 -168.88 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 5.62 110.666 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 60.59 158.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.115 0.483 . . . . 6.22 111.634 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -108.68 143.23 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 3.56 110.481 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.558 HG22 ' HA ' ' A' ' 38' ' ' ALA . 10.8 tp -92.28 144.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 2.59 111.429 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -112.77 73.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 3.38 110.402 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -109.83 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 1.68 111.13 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 190' ' ' TYR . 48.5 t -76.85 -43.32 36.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.11 -0.495 . . . . 2.4 110.287 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -112.91 176.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 3.83 111.169 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 4.92 111.075 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.299 0.095 . . . . 3.85 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 51.4 Cg_exo -54.21 135.64 65.48 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.385 2.057 . . . . 3.29 112.227 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.08 163.45 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.212 -0.449 . . . . 2.72 110.696 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.73 98.74 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 2.44 111.025 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 33' ' ' ILE . 3.3 mp -78.0 125.9 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 1.95 110.748 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.74 127.47 56.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.53 111.04 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.6 m -80.24 -26.16 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 2.28 110.628 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.94 -40.89 83.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 4.16 111.01 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 255' ' ' ILE . 11.6 t -81.23 -14.8 57.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 2.26 111.051 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 157.46 27.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 1.59 111.116 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -125.97 120.78 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 4.1 110.948 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -57.1 123.51 15.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 4.34 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -119.63 95.42 49.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 3.04 110.944 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 -6.76 16.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.394 2.063 . . . . 2.51 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.8 m -60.85 -45.57 94.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 3.54 110.907 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -72.46 133.22 44.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 3.49 110.855 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.85 152.21 50.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 4.66 110.718 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.6 127.81 22.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.542 2.161 . . . . 2.89 112.366 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.02 172.99 1.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 5.61 111.288 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 60.7 m -135.53 150.45 49.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 3.01 110.772 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.78 137.75 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 2.88 111.388 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 78' ' ' VAL . 53.2 m -113.54 145.68 40.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 2.94 110.96 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -166.46 57.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 5.23 110.882 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.86 -42.49 14.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.563 . . . . 4.17 109.827 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.91 -3.75 31.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 5.15 110.357 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -51.08 121.05 5.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.479 . . . . 2.19 111.194 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 m -149.68 142.29 24.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.31 111.267 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -86.89 149.79 24.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.057 -0.519 . . . . 2.24 110.37 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 tp -117.91 -38.86 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 4.0 111.825 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -167.76 162.69 13.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.347 . . . . 5.17 111.279 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 59' ' ' ILE . 23.4 pt -128.96 104.58 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.119 -0.491 . . . . 2.2 111.04 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.9 tp -113.34 153.68 28.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.181 -0.463 . . . . 3.06 111.403 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.451 HD21 ' HG3' ' A' ' 169' ' ' LYS . 1.9 m-20 -110.93 162.14 15.13 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.909 -0.587 . . . . 2.16 110.684 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.82 15.35 25.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 3.54 111.832 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 14.29 61.47 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.507 -0.854 . . . . 2.67 112.562 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 12.7 p80 -175.23 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 5.03 110.303 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 137.19 53.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 2.49 109.766 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' HIS . 37.7 p90 -120.1 133.79 55.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 3.96 111.114 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -109.01 101.3 10.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.92 -0.582 . . . . 3.14 110.216 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.412 ' HB ' HG23 ' A' ' 59' ' ' ILE . 24.9 m -119.24 147.28 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 2.51 111.412 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -175.07 -96.04 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.294 -0.412 . . . . 3.84 110.934 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -138.06 175.36 9.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.697 0.284 . . . . 4.98 110.728 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.434 ' HB2' ' HZ1' ' A' ' 76' ' ' LYS . 21.8 m-20 -67.69 135.62 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 3.04 110.895 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.24 -11.15 24.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 3.88 110.965 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 t -54.9 -40.2 69.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 3.52 110.987 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -126.0 173.69 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 4.49 110.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.52 51.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 2.84 111.07 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 6.2 ptpp? -69.52 -7.03 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.062 -0.517 . . . . 3.74 110.968 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HB3' ' HB1' ' A' ' 54' ' ' ALA . . . -155.36 120.2 4.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.136 -0.484 . . . . 1.97 110.995 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 50' ' ' SER . 32.6 m -121.53 167.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 2.27 111.021 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 tt -142.55 141.52 32.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 2.78 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 96.8 mttt -117.1 168.99 9.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 3.11 110.556 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.76 30.53 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 2.5 112.642 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -165.34 30.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.762 -0.732 . . . . 2.96 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.01 -10.23 27.88 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.523 2.149 . . . . 4.5 112.376 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.37 149.47 42.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 3.36 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -91.17 0.26 57.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 5.04 110.771 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.89 72.5 2.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.721 . . . . 2.03 112.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -66.32 129.35 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 2.23 111.795 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.461 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 48.1 m-85 -92.79 120.56 33.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 3.57 110.171 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB2' ' HB ' ' A' ' 125' ' ' THR . 56.2 ttp180 -66.37 136.68 56.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.318 . . . . 4.36 111.14 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.42 139.85 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 3.01 110.368 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -80.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.46 -0.336 . . . . 2.89 111.73 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -151.01 171.15 17.76 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.639 0.257 . . . . 3.0 110.907 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 31.3 p90 -138.64 144.92 39.9 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.977 0.418 . . . . 1.76 111.262 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.548 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.4 p-80 -117.66 168.07 10.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.804 -0.634 . . . . 1.36 110.732 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -120.61 154.12 35.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.958 0.409 . . . . 3.9 111.91 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -112.06 161.97 15.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.855 -0.611 . . . . 2.17 110.445 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -140.56 109.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.701 0.286 . . . . 6.63 110.899 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 151.81 36.66 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.67 -0.776 . . . . 3.04 112.68 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.465 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 85.1 p -72.47 -15.51 61.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.824 0.345 . . . . 4.64 110.869 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.69 137.07 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 5.7 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.22 17.02 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 5.38 110.938 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.98 -42.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 4.71 112.301 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 3.7 pt20 -167.86 143.22 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 5.24 110.861 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.96 58.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 2.08 112.582 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 t -104.81 151.59 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.635 0.255 . . . . 2.22 110.782 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.42 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.64 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -85.46 168.29 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 2.79 110.767 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.4 p -139.49 108.18 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 2.38 111.008 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 32.6 m -93.13 156.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 2.7 111.265 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.81 30.6 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.824 -0.625 . . . . 2.18 111.18 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 58.79 22.62 10.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 3.86 111.155 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -126.08 149.09 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 4.34 110.804 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.78 150.65 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 3.01 110.955 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.27 171.88 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 2.48 110.44 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -61.65 -54.16 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 2.1 111.037 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.61 -179.58 7.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 1.99 110.726 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -152.51 134.0 14.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 2.4 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 147' ' ' LEU . 3.5 pp -86.85 147.73 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 2.52 110.292 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.548 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 8.4 m170 -117.82 121.53 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 1.93 111.816 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 143' ' ' LEU . 1.1 mp -105.82 142.85 34.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 2.98 110.481 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 t -111.37 138.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.071 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 74.0 m80 -131.8 132.94 44.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 3.2 111.002 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -129.78 139.76 51.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 4.68 110.676 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -56.35 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.867 -0.606 . . . . 2.56 111.27 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 89' ' ' ARG . 4.2 t -74.57 -15.08 60.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 2.19 110.707 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -57.5 -33.38 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 4.02 110.651 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -89.4 -20.96 23.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 4.5 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.4 -12.25 51.99 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 2.38 112.267 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -141.59 145.47 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 3.07 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -72.53 -19.36 61.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 3.61 110.858 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -54.69 -42.39 77.57 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.766 -0.731 . . . . 2.51 112.471 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.87 -17.35 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 4.04 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.56 67.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 2.12 110.856 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.532 ' HA ' HD21 ' A' ' 140' ' ' LEU . 19.3 m -75.32 -7.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 2.79 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -82.11 8.74 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 4.15 111.308 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 139' ' ' GLY . 3.7 pt20 -158.98 140.47 9.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.473 -0.331 . . . . 3.37 110.878 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.63 -19.87 66.63 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.533 2.156 . . . . 2.89 112.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -102.58 22.07 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 2.64 110.944 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.43 ' N ' ' HG3' ' A' ' 136' ' ' GLN . . . -108.65 -17.62 10.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.843 -0.694 . . . . 1.75 112.423 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 134' ' ' VAL . 1.6 pt? -139.64 128.17 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 2.23 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.38 122.08 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.5 110.844 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -94.21 108.7 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.88 111.172 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 211' ' ' LEU . 20.4 tp -85.99 144.41 27.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 2.67 110.439 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.69 132.8 6.75 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.515 -0.85 . . . . 1.4 113.03 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 118' ' ' LEU . 68.0 mt -128.81 110.18 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 2.06 110.813 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -63.63 159.45 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 5.19 110.789 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 118' ' ' LEU . 89.8 mt -132.66 125.1 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.73 110.868 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -116.77 143.78 45.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 4.63 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.6 t -93.73 147.44 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 3.58 110.921 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.73 19.35 9.25 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.722 -0.752 . . . . 3.15 112.648 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.5 m -122.72 107.03 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 4.35 110.843 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' A' ' 218' ' ' SER . . . -59.35 137.66 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 4.28 111.13 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.478 ' HB2' HD11 ' A' ' 156' ' ' LEU . 17.1 pttp -68.08 134.53 91.64 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.233 -0.44 . . . . 5.57 110.746 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 26.8 Cg_exo -62.87 -0.49 2.09 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.526 2.151 . . . . 3.3 112.368 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 153' ' ' LYS . . . 133.76 62.21 0.07 OUTLIER Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.829 -0.7 . . . . 2.71 112.424 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 153' ' ' LYS . 8.4 mp -114.86 26.16 10.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.759 0.314 . . . . 4.34 110.781 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.92 -46.16 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 4.04 111.177 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -54.84 -44.21 73.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 5.16 111.315 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.15 -26.93 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 3.48 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.98 -31.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 3.6 111.223 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.76 -42.34 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 3.01 110.784 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.88 -23.36 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 3.02 111.143 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 164' ' ' ASP . 4.1 tt -69.28 -53.85 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 2.72 111.309 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.451 ' N ' HD23 ' A' ' 163' ' ' LEU . 21.1 t70 -56.34 -13.06 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 2.42 110.988 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 34.3 t -84.76 -44.01 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 2.22 111.425 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 1.6 pp -130.22 47.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.966 0.412 . . . . 3.02 111.363 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -66.97 -47.83 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 4.14 111.588 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 40.1 p -72.62 151.94 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.378 . . . . 2.82 111.522 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.451 ' HG3' HD21 ' A' ' 61' ' ' ASN . 4.9 mptp? -72.28 148.05 45.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 3.97 111.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.43 -21.11 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.866 -0.683 . . . . 2.38 112.39 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -109.08 177.15 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 3.72 111.115 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -160.93 169.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.83 -0.623 . . . . 2.54 110.516 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -153.65 140.34 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.723 0.297 . . . . 2.36 111.287 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -87.38 130.41 34.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.315 -0.402 . . . . 3.74 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -145.74 104.97 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.306 -0.406 . . . . 5.29 110.734 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 35.3 p -107.84 -172.91 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 5.01 111.403 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 57.49 56.83 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.566 . . . . 7.01 111.058 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 180' ' ' PRO . 68.4 t80 -93.86 150.99 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 5.44 110.673 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -114.11 85.44 10.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 3.92 111.243 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . 0.507 ' HA ' HD12 ' A' ' 183' ' ' LEU . 14.9 Cg_exo -68.66 -8.05 22.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.617 2.211 . . . . 5.03 112.326 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.31 -36.93 83.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 9.4 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -71.41 -14.47 74.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.636 -0.793 . . . . 3.43 112.506 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 180' ' ' PRO . 6.7 mp -94.69 19.07 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.563 0.22 . . . . 6.25 110.987 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 pp -49.59 133.5 19.32 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.299 -0.409 . . . . 5.0 111.113 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.41 162.16 19.67 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.71 2.274 . . . . 4.45 112.557 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.8 -21.43 61.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 6.38 111.032 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.5 m 52.45 78.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 5.39 111.111 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 212' ' ' LYS . 11.5 mt -150.77 -177.79 6.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 4.68 111.112 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.39 166.76 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 3.78 110.796 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 258' ' ' SER . 36.9 p90 -166.75 139.99 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 3.57 110.67 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 257' ' ' ALA . 43.6 p90 -76.81 152.15 35.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 4.84 110.761 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.432 HG21 ' HA ' ' A' ' 257' ' ' ALA . 8.1 t -135.12 170.52 15.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 2.03 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . 0.404 ' O ' ' HB3' ' A' ' 208' ' ' TRP . 82.5 t80 -169.61 130.9 1.02 Allowed Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.041 -0.527 . . . . 3.02 110.372 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.03 127.57 26.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.198 1.932 . . . . 1.7 112.292 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -93.65 10.16 72.91 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.729 -0.748 . . . . 1.85 112.507 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.565 0.222 . . . . 2.97 110.877 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.073 0.463 . . . . 5.45 110.83 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -91.84 20.28 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 3.98 110.807 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.19 15.83 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 3.13 110.446 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.71 132.46 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.748 -0.66 . . . . 2.42 110.985 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.453 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 27.7 m -113.59 149.18 34.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.541 -0.299 . . . . 1.8 110.88 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . 0.404 ' HB3' ' O ' ' A' ' 193' ' ' TYR . 50.5 t-105 -111.26 108.76 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 3.11 110.854 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -131.78 155.44 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 2.13 110.891 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 35.3 m -128.35 145.49 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 2.73 111.292 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.497 ' HB2' HD22 ' A' ' 143' ' ' LEU . 29.1 tp -94.22 147.62 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 4.37 110.764 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' A' ' 188' ' ' LEU . 22.8 tptm -66.59 -20.1 65.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 6.2 111.16 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.484 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 40.7 tt0 -57.08 110.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 5.91 110.674 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.99 130.31 4.86 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.543 2.162 . . . . 4.22 112.85 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 44.0 mm -130.91 120.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 4.88 110.365 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 60.0 m -136.9 151.37 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 3.8 111.305 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.48 155.29 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.0 110.602 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.469 ' HB3' ' HA ' ' A' ' 152' ' ' ALA . 92.4 p -89.89 148.45 23.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 3.66 110.738 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.409 ' O ' HG12 ' A' ' 222' ' ' VAL . 49.2 m -62.58 -15.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 3.12 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.42 -31.27 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 4.51 111.201 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -87.88 -15.34 36.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 4.63 112.013 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 219' ' ' SER . 14.5 p -74.11 -27.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 2.92 110.952 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.04 -22.12 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 3.21 110.434 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -84.72 -31.72 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 4.23 110.754 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -71.8 -24.06 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 4.01 110.841 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -84.63 -1.08 55.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.992 -0.549 . . . . 5.4 111.062 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 3.8 111.103 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.414 HD11 ' HE2' ' A' ' 169' ' ' LYS . 4.2 pp -74.93 162.03 28.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 3.46 110.796 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . 0.425 ' N ' HD21 ' A' ' 229' ' ' ASN . 0.9 OUTLIER -109.07 160.95 15.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 3.16 110.979 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 64.8 t80 -53.15 -47.56 68.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.837 0.351 . . . . 6.2 110.446 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 4.89 110.805 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.339 . . . . 5.59 111.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 15.6 ptm -62.25 -26.05 68.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 5.6 110.816 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 34.3 m -88.96 -171.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.559 -0.746 . . . . 3.98 111.141 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 241' ' ' VAL . 25.5 t70 78.73 33.98 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.979 -0.555 . . . . 3.67 110.598 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -112.0 39.59 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.651 -0.704 . . . . 4.18 110.364 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -106.01 150.95 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.684 . . . . 3.85 110.968 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 25.3 mmm180 -123.52 128.39 25.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.954 -0.566 . . . . 4.15 110.705 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 21.5 Cg_exo -66.23 143.11 69.64 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.563 2.175 . . . . 2.75 112.461 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -99.11 173.51 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 3.18 110.916 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -136.31 137.61 24.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.373 -0.376 . . . . 5.96 111.047 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.53 125.8 12.7 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.681 2.254 . . . . 4.47 112.245 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . 0.526 HD21 ' H ' ' A' ' 250' ' ' LEU . 0.3 OUTLIER -80.08 -41.87 24.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 4.44 111.139 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 56.38 21.22 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 7.2 109.952 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.15 -174.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.551 -0.75 . . . . 5.62 110.753 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -71.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 6.22 110.945 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -133.32 154.4 50.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 3.56 110.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 37' ' ' THR . 17.7 tt -111.93 131.65 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 2.59 111.04 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -70.25 118.73 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.38 110.739 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.53 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -150.78 140.72 21.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 1.68 111.224 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.9 t -79.3 -8.05 58.76 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.143 0.497 . . . . 2.4 109.987 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -111.71 137.84 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.452 -0.795 . . . . 3.83 110.478 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.384 -0.817 . . . . 4.92 111.2 179.855 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.458 0.171 . . . . 3.85 111.094 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.88 156.66 52.45 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.645 2.23 . . . . 3.29 111.916 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' ASP . 27.0 t -117.75 157.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 2.72 110.549 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' VAL . 7.9 m-20 -93.97 98.56 11.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 2.44 110.508 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.4 mp -96.93 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 1.95 111.105 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.85 129.24 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.53 111.09 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.7 m -76.69 -19.94 57.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 2.28 110.538 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -67.01 -40.59 87.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.793 -0.64 . . . . 4.16 110.824 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.5 t -78.47 -10.2 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 2.26 111.132 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.09 155.88 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 1.59 111.102 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -147.12 149.99 34.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 4.1 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 257' ' ' ALA . 35.1 p90 -93.7 138.9 31.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 4.34 110.906 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.71 94.01 33.11 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 3.04 110.984 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -78.51 34.98 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.487 2.125 . . . . 2.51 112.457 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -65.86 -45.33 82.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.374 -0.376 . . . . 3.54 111.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.52 154.68 41.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 3.49 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -107.49 126.05 30.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 4.66 110.817 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.99 129.89 11.84 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.024 . . . . 2.89 112.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.73 -61.7 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 5.61 111.03 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -135.73 151.01 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 3.01 111.022 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 52' ' ' ASP . 10.2 p -106.92 143.38 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 2.88 110.714 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -90.84 151.76 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 2.94 111.713 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.542 ' H ' ' HA ' ' A' ' 77' ' ' ALA . 22.5 t80 63.34 43.25 6.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.635 -0.711 . . . . 5.23 110.855 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 49' ' ' VAL . 7.2 p-10 -92.23 -30.06 16.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.786 -0.643 . . . . 4.17 110.133 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -145.72 23.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 5.15 110.914 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.42 144.28 51.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.42 -0.355 . . . . 2.19 111.115 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 178' ' ' PHE . 94.7 m -143.48 138.54 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 2.31 111.308 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -90.12 144.47 25.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.026 -0.534 . . . . 2.24 110.762 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.22 -36.12 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 4.0 111.144 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -158.84 143.83 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.265 -0.425 . . . . 5.17 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.3 pt -127.15 127.56 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 2.2 110.913 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HG ' ' HB2' ' A' ' 172' ' ' SER . 5.2 mp -113.31 155.16 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 3.06 111.358 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.403 HD22 ' HB ' ' A' ' 166' ' ' ILE . 2.5 m-20 -109.85 151.18 27.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 2.16 110.582 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.27 23.37 14.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.952 0.353 . . . . 3.54 111.952 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.8 14.45 82.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.381 -0.914 . . . . 2.67 112.555 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -172.12 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 5.03 110.437 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.98 141.88 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.586 . . . . 2.49 110.685 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -125.06 153.61 42.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 3.96 111.038 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.71 152.98 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 3.14 110.431 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.6 m -95.82 135.63 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 2.51 111.237 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.05 141.52 50.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.813 0.34 . . . . 3.84 110.968 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -102.2 145.52 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 4.98 110.767 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.7 152.07 32.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 3.04 110.648 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.75 3.92 49.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 3.88 111.5 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 3.52 110.553 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -128.63 -174.55 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.836 -0.62 . . . . 4.49 110.405 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.21 -26.92 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 2.84 110.768 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 60.17 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.967 -0.561 . . . . 3.74 111.661 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HA ' ' H ' ' A' ' 51' ' ' TYR . . . -102.26 123.57 46.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 1.97 111.193 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 89' ' ' ARG . 16.6 m -142.03 127.87 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 2.27 111.183 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.5 tp -114.01 134.13 55.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.38 -0.373 . . . . 2.78 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.28 169.24 14.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 3.11 110.493 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.35 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 2.5 112.432 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.26 -150.96 18.73 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.563 -0.827 . . . . 2.96 112.067 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.19 86.01 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.238 1.959 . . . . 4.5 111.406 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.0 tp -53.23 114.6 1.53 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.115 -0.493 . . . . 3.36 111.451 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -134.4 26.6 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 5.04 109.991 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.29 104.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.723 -0.671 . . . . 2.03 111.987 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -57.23 147.63 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 2.23 111.495 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -97.76 117.21 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 3.57 110.684 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.559 ' HG2' HG11 ' A' ' 78' ' ' VAL . 73.4 mtt180 -100.37 134.52 43.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 4.36 111.049 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 8.4 mp -83.14 130.28 35.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 3.01 110.479 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.547 HG13 ' H ' ' A' ' 92' ' ' GLN . 1.6 pt -96.77 -62.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 2.89 111.875 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.547 ' H ' HG13 ' A' ' 91' ' ' ILE . 10.0 pt20 -156.91 155.02 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.856 0.36 . . . . 3.0 111.529 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 38.9 p90 -153.82 147.17 24.85 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.061 -0.518 . . . . 1.76 110.955 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.529 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.0 p-80 -114.95 165.66 12.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 1.36 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -111.42 163.7 13.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.974 0.416 . . . . 3.9 111.417 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -123.79 152.62 42.02 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.888 -0.596 . . . . 2.17 110.554 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.43 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 22.7 m-90 -140.41 103.26 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 6.63 111.221 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.36 172.69 55.12 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 3.04 112.484 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.544 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 33.0 t -75.73 -33.38 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 4.64 110.652 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.68 135.49 52.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 5.7 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.81 7.03 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 5.38 110.757 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.6 -22.24 6.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 4.71 112.171 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -157.38 169.19 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 5.24 110.933 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.02 48.3 1.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.86 -0.686 . . . . 2.08 112.319 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.613 ' H ' ' HE3' ' A' ' 113' ' ' LYS . 41.2 t -101.64 -77.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 2.22 111.341 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.48 -25.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 2.64 110.616 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.636 ' HD1' HG12 ' A' ' 109' ' ' VAL . 14.0 p80 -157.07 176.45 12.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 2.79 110.321 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.4 HG21 ' HB2' ' A' ' 113' ' ' LYS . 77.0 p -129.78 100.39 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 2.38 111.659 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.636 HG12 ' HD1' ' A' ' 107' ' ' HIS . 24.2 m -98.03 147.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.332 -0.394 . . . . 2.7 110.778 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.9 t70 54.35 33.14 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.452 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 62.65 25.22 15.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.853 -0.612 . . . . 3.86 111.135 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -134.86 155.38 50.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 4.34 110.802 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.613 ' HE3' ' H ' ' A' ' 105' ' ' SER . 45.0 tttp -122.71 148.85 44.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 3.01 110.439 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -91.96 166.72 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 2.48 110.884 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.82 -43.91 57.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.278 . . . . 2.1 111.091 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.13 177.28 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.424 . . . . 1.99 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 44.3 mt-10 -150.73 136.58 18.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.486 -0.324 . . . . 2.4 110.918 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' A' ' 147' ' ' LEU . 1.0 OUTLIER -86.74 147.99 25.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 2.52 110.616 179.21 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.529 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.6 m170 -96.14 121.87 38.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.133 -0.485 . . . . 1.93 111.321 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 5.1 mp -114.52 105.28 12.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 2.98 110.985 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 114.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 2.44 111.205 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.471 ' HE2' ' HG ' ' A' ' 143' ' ' LEU . 15.9 p80 -131.78 136.85 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 3.2 110.963 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -106.29 152.97 22.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.945 0.403 . . . . 4.68 110.794 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.442 HD22 ' HB3' ' A' ' 126' ' ' LYS . 52.8 t30 -68.71 117.12 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 2.56 111.169 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 89' ' ' ARG . 80.8 p -79.33 -14.43 58.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.859 -0.61 . . . . 2.19 111.418 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 124' ' ' ASN . 28.6 tptp -51.34 -35.86 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 4.02 111.154 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -78.08 -27.19 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 4.5 110.832 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.64 85.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 2.38 112.537 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -140.09 142.08 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.375 . . . . 3.07 110.82 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -73.45 -24.97 60.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 3.61 111.08 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.89 -21.98 78.87 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.921 -0.657 . . . . 2.51 112.185 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -83.92 -42.64 16.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 4.04 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.31 94.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 2.12 110.723 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.74 -22.4 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 2.79 111.246 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -72.47 -24.44 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 4.15 110.782 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -102.8 126.01 33.93 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.37 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.88 -29.86 88.93 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.49 2.127 . . . . 2.89 112.296 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.18 22.34 16.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 2.64 110.644 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -100.41 -16.05 28.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 1.75 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.27 133.65 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 2.23 110.801 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.67 149.25 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.5 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.68 118.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 1.88 111.071 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 120' ' ' LEU . 52.1 mt -85.97 144.17 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 2.67 110.547 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 210' ' ' VAL . . . -134.05 117.28 1.81 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.645 -0.788 . . . . 1.4 112.719 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 211' ' ' LEU . 10.8 mt -115.77 135.06 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 2.06 110.379 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.563 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 29.5 m-85 -69.51 152.88 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 5.19 110.95 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 118' ' ' LEU . 77.5 mt -137.76 71.96 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 3.73 110.633 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -112.36 143.11 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 4.63 110.622 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 217' ' ' VAL . 11.7 m -56.34 122.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.279 -0.419 . . . . 3.58 111.431 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.9 153.03 18.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.592 . . . . 3.15 112.051 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.6 t 60.49 94.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 4.35 110.627 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.05 3.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 4.28 111.458 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.506 ' HE2' ' HB3' ' A' ' 157' ' ' GLN . 25.5 ttpp -59.09 116.77 17.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 5.57 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -61.18 -18.03 55.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.49 2.127 . . . . 3.3 112.236 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 122.33 61.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.921 -0.657 . . . . 2.71 112.291 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.3 tp -145.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 4.34 110.682 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.506 ' HB3' ' HE2' ' A' ' 153' ' ' LYS . 10.8 pt20 -62.36 -31.74 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 4.04 111.351 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.63 -36.22 56.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 5.16 111.291 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.55 -27.76 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 3.48 111.282 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 163' ' ' LEU . 62.0 t -66.15 -24.78 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 3.6 111.189 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.85 -19.34 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 3.01 111.356 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.8 -17.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 3.02 111.718 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 160' ' ' VAL . 4.0 pp -61.57 -24.67 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 2.72 111.021 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.56 -12.57 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.495 . . . . 2.42 110.9 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.0 m -65.89 -26.15 67.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 2.22 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.403 ' HB ' HD22 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -125.66 48.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 3.02 110.547 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -52.03 -47.21 65.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.73 -0.668 . . . . 4.14 111.322 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.0 p -117.69 149.41 40.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 2.82 111.279 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -79.17 146.21 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.507 . . . . 3.97 110.654 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 105.99 -17.03 42.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.871 -0.681 . . . . 2.38 112.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -109.59 149.69 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 3.72 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' SER . . . . . 0.42 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 86.6 p -103.58 165.04 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 2.54 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -152.9 140.24 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 2.36 111.099 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.0 129.46 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 3.74 110.762 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -139.93 109.25 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 5.29 111.044 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.9 t -136.46 179.6 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.04 -0.527 . . . . 5.01 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.73 57.17 1.81 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.962 0.41 . . . . 7.01 111.255 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . 0.422 ' HB3' HG22 ' A' ' 55' ' ' THR . 70.8 t80 -90.92 145.24 24.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 5.44 110.571 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.04 81.28 4.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 3.92 111.092 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.57 -10.1 15.92 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.53 2.153 . . . . 5.03 112.36 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.95 -20.07 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 9.4 110.818 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -90.6 -31.36 10.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 3.43 112.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.67 18.53 11.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.539 0.209 . . . . 6.25 111.294 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.25 139.51 91.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.662 -0.244 . . . . 5.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.32 131.8 6.77 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.521 2.147 . . . . 4.45 112.324 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.92 -7.4 59.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 6.38 110.906 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' SER . . . . . 0.419 ' HG ' ' HD3' ' A' ' 212' ' ' LYS . 20.0 m 59.94 32.02 20.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 5.39 110.932 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.21 -30.46 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 4.68 111.125 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 259' ' ' PHE . 3.3 p30 -150.82 149.46 29.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.444 -0.344 . . . . 3.78 110.964 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -140.5 140.35 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 3.57 110.728 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.537 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 28.2 m95 -133.18 142.16 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 4.84 110.455 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 8.8 t -153.16 139.9 18.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.859 0.361 . . . . 2.03 111.453 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -158.38 73.11 3.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 3.02 110.704 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.572 ' HA ' HG23 ' A' ' 207' ' ' THR . 10.9 Cg_endo -54.06 147.93 41.6 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.869 2.379 . . . . 1.7 112.836 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 174.3 -119.4 0.73 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.87 -0.681 . . . . 1.85 112.298 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 206' ' ' VAL . 85.3 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.651 0.262 . . . . 2.97 110.699 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.992 0.425 . . . . 5.45 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.84 41.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 3.98 109.898 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -68.82 -2.06 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.738 -0.664 . . . . 3.13 111.089 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 196' ' ' SER . 2.7 m -112.43 111.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 2.42 111.06 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.8 m -112.97 130.05 56.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 1.8 110.813 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -109.69 111.89 23.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 3.11 110.741 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.447 HD11 ' N ' ' A' ' 209' ' ' ILE . 0.1 OUTLIER -130.85 134.96 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 2.13 110.88 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 35.9 t -76.09 106.89 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 2.73 111.29 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.468 ' HB3' HG12 ' A' ' 145' ' ' ILE . 29.0 tp -62.76 161.63 12.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 4.37 110.625 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.419 ' HD3' ' HG ' ' A' ' 187' ' ' SER . 94.9 mttt -77.5 -6.82 54.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.2 111.818 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.07 154.62 28.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.625 0.25 . . . . 5.91 111.147 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 164.22 33.58 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.708 2.272 . . . . 4.22 112.579 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 146' ' ' PHE . 47.8 pt -84.54 171.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.545 . . . . 4.88 111.246 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 36.9 t -58.3 173.04 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 3.8 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 149' ' ' VAL . 33.4 m -99.48 173.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 3.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 69.5 m -62.43 161.5 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 3.66 111.233 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.2 p -63.42 -13.32 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 3.12 110.79 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.83 -43.18 90.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 4.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.31 -19.8 42.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 4.63 110.422 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.92 -17.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 2.92 110.398 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.55 -20.08 59.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 3.21 110.371 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 3.0 mptp? -85.43 -27.75 25.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 4.23 111.007 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.72 11.75 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 4.01 111.191 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -74.88 -26.95 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 5.4 111.233 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -69.1 -4.97 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 3.8 111.16 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.62 160.4 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 3.46 110.62 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -95.95 164.34 12.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 3.16 111.058 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 47.3 p90 -97.63 3.56 50.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 6.2 110.925 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 31.9 t30 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 4.89 111.045 -179.518 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.802 0.334 . . . . 5.59 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.4 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 53.8 ttp -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.228 -0.442 . . . . 5.6 110.62 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.544 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 17.2 m -141.41 -178.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 3.98 111.511 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 63.56 35.83 11.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.835 -0.62 . . . . 3.67 110.895 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.43 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 18.5 m120 -100.84 55.33 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 4.18 111.154 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -110.87 137.75 48.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 3.85 110.741 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -135.44 97.5 13.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 4.15 111.351 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.88 138.31 62.48 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.602 2.201 . . . . 2.75 111.959 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.16 40.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.341 -0.391 . . . . 3.18 111.383 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 57.1 tp60 -90.46 117.36 67.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.476 -0.329 . . . . 5.96 111.247 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . 0.554 ' HG2' HD21 ' A' ' 252' ' ' ASN . 86.8 Cg_endo -78.45 140.9 17.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.523 2.149 . . . . 4.47 112.448 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 37.7 tp -79.94 -8.61 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 4.44 110.638 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.69 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.536 . . . . 7.2 111.489 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . 0.554 HD21 ' HG2' ' A' ' 249' ' ' PRO . 10.2 p30 -59.29 147.81 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 5.62 111.044 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -140.19 -58.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.021 -0.536 . . . . 6.22 110.683 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -105.94 117.37 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 3.56 110.478 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.474 HG23 ' H ' ' A' ' 257' ' ' ALA . 19.2 mm -64.01 145.61 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 2.59 111.033 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -93.44 19.2 8.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 3.38 111.261 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -164.44 167.69 19.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 1.68 111.326 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 50.2 m -158.23 -49.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 2.4 110.648 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 189' ' ' ASP . 97.3 m-85 -132.72 175.67 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.944 -0.571 . . . . 3.83 110.889 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.137 -0.935 . . . . 4.92 110.933 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.547 0.213 . . . . 3.85 110.831 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.32 128.91 30.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.471 2.114 . . . . 3.29 111.977 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.593 HG23 ' H ' ' A' ' 32' ' ' ASP . 3.1 p -123.99 176.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 2.72 110.938 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.593 ' H ' HG23 ' A' ' 31' ' ' VAL . 14.7 m-20 -82.27 98.73 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 2.44 110.136 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 mp -60.18 118.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 1.95 111.287 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.3 129.34 55.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.53 110.829 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 m -79.82 -23.46 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.809 -0.632 . . . . 2.28 111.143 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -79.27 -36.58 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 4.16 111.163 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 t -76.61 -22.03 54.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 2.26 110.999 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HA ' HE22 ' A' ' 254' ' ' GLN . . . -55.26 149.08 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 1.59 111.016 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.22 143.7 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 4.1 110.84 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' N ' ' HA ' ' A' ' 260' ' ' LYS . 40.4 p90 -69.59 131.99 45.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 4.34 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -129.98 90.81 41.44 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 3.04 111.082 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -84.33 44.09 1.46 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.534 2.156 . . . . 2.51 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -85.77 -43.05 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 3.54 111.045 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 mt -136.92 114.92 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 3.49 110.985 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -100.22 140.42 21.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 4.66 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.85 125.86 17.02 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.486 2.124 . . . . 2.89 112.048 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 52.4 tp -80.61 -61.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.61 111.291 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -134.52 148.53 50.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 3.01 111.295 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -146.06 113.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.012 -0.54 . . . . 2.88 110.795 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 t -107.14 111.11 23.39 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.479 -0.328 . . . . 2.94 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 81.7 m-85 60.66 113.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.025 0.44 . . . . 5.23 111.296 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.68 -9.91 59.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 4.17 110.806 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -147.35 126.29 12.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 5.15 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.33 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 2.19 111.018 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.418 ' HG1' ' HD2' ' A' ' 76' ' ' LYS . 28.5 m -90.37 141.89 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 2.31 111.088 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 99.4 p -99.69 159.63 14.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 2.24 111.038 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -124.79 -39.24 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 4.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -165.64 146.59 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 5.17 110.884 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 59' ' ' ILE . 3.6 mp -109.88 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 2.2 110.78 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 tp -112.01 150.57 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 3.06 110.962 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.88 162.91 15.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 2.16 111.026 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.432 HD22 ' HB3' ' A' ' 65' ' ' ALA . 32.2 p30 -106.63 12.18 29.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 3.54 111.294 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.24 26.93 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.601 -0.809 . . . . 2.67 112.571 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' N ' ' HG2' ' A' ' 169' ' ' LYS . 78.2 t60 -176.72 -54.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 5.03 110.582 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' HB3' HD22 ' A' ' 62' ' ' ASN . . . -89.97 162.25 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 2.49 110.711 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -140.56 133.87 29.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 3.96 111.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -133.36 153.27 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 3.14 110.267 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 93' ' ' PHE . 1.9 t -97.0 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 2.51 111.334 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -70.48 141.5 52.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 3.84 111.123 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.34 152.51 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 4.98 110.674 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.46 146.6 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 3.04 111.007 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.79 26.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 3.88 111.098 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 t -88.49 -44.89 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 3.52 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -168.93 -174.72 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 4.49 111.119 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.14 -18.53 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 2.84 110.717 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HD2' ' HG1' ' A' ' 55' ' ' THR . 73.7 mmtt 64.56 -81.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.692 -0.686 . . . . 3.74 111.717 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.577 ' HA ' ' HB2' ' A' ' 51' ' ' TYR . . . -111.9 120.31 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 1.97 111.844 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.99 136.33 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 2.27 110.507 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 90' ' ' LEU . 7.2 mp -118.14 131.23 56.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.102 0.477 . . . . 2.78 111.656 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HA ' HD21 ' A' ' 84' ' ' LEU . 53.4 pttt -159.69 128.93 5.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.802 -0.636 . . . . 3.11 110.542 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . -170.71 -154.84 9.88 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.224 -0.989 . . . . 2.5 113.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.49 -63.08 2.29 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.994 -0.622 . . . . 2.96 113.015 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.92 -11.62 10.22 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.546 2.164 . . . . 4.5 112.402 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 80' ' ' LYS . 14.3 tp -91.8 150.3 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 3.36 110.52 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.458 ' HB2' ' HH ' ' A' ' 88' ' ' TYR . 16.7 m-20 -83.64 12.64 5.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 5.04 111.665 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.75 -141.01 8.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.498 -0.858 . . . . 2.03 112.835 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -119.82 116.1 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.803 0.335 . . . . 2.23 110.962 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.458 ' HH ' ' HB2' ' A' ' 85' ' ' ASP . 71.0 m-85 -112.45 128.69 56.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.295 -0.411 . . . . 3.57 110.887 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -103.53 124.84 49.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 4.36 111.268 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 90' ' ' LEU . 4.7 mp -84.36 143.06 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 3.01 110.061 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.72 -45.04 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.565 0.58 . . . . 2.89 112.565 -179.011 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' N ' HG12 ' A' ' 91' ' ' ILE . 13.9 pt20 -151.23 161.91 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 3.0 111.691 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.621 ' HB3' HD11 ' A' ' 120' ' ' LEU . 10.2 p90 -142.79 174.99 10.16 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.993 -0.548 . . . . 1.76 110.502 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -145.83 169.41 18.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 1.36 111.004 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -109.97 148.95 30.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.313 -0.403 . . . . 3.9 110.913 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -110.87 123.96 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.058 -0.519 . . . . 2.17 110.68 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.478 ' H ' HD21 ' A' ' 243' ' ' ASN . 16.6 m0 -122.04 120.4 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 6.63 110.765 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.0 -176.24 17.42 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.704 -0.76 . . . . 3.04 112.465 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -82.75 -25.79 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 4.64 110.963 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.18 146.19 24.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 5.7 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.45 16.67 5.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.182 -0.463 . . . . 5.38 111.014 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.57 -40.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 4.71 112.355 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -163.33 162.02 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 5.24 111.029 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.445 ' HA2' ' HD3' ' A' ' 113' ' ' LYS . . . 136.57 75.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.817 -0.706 . . . . 2.08 112.575 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.7 p -87.68 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 2.22 110.656 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 179.55 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.906 -0.588 . . . . 2.64 110.213 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -105.1 166.76 10.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.025 -0.534 . . . . 2.79 109.973 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 113' ' ' LYS . 63.8 p -112.12 119.17 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 2.38 111.598 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.55 135.24 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 2.7 110.372 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.9 t70 53.61 40.48 31.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.072 0.463 . . . . 2.18 110.11 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 58.7 25.2 13.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.824 -0.626 . . . . 3.86 111.306 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -129.54 150.0 51.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 4.34 111.082 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HB2' HG22 ' A' ' 108' ' ' THR . 22.5 ttmm -127.3 150.87 49.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 3.01 110.788 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -113.96 175.44 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.685 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.64 -47.43 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 2.1 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.08 162.47 35.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.574 . . . . 1.99 110.719 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.57 152.54 31.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 2.4 111.129 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.3 mt -86.42 148.12 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 2.52 110.747 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -132.13 95.52 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 1.93 110.738 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 93' ' ' PHE . 4.2 mm? -79.34 122.13 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 2.98 110.781 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.82 114.44 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 2.44 111.086 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . 19.1 p80 -131.85 -178.28 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.036 -0.529 . . . . 3.2 110.573 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -174.23 152.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 4.68 110.925 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.2 124.79 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.619 . . . . 2.56 110.923 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -71.49 -14.52 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.641 . . . . 2.19 110.903 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -58.47 -25.69 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 4.02 110.879 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.654 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 96.3 m-85 -84.05 -27.91 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 4.5 110.805 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.85 -30.66 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.858 -0.687 . . . . 2.38 112.553 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -153.66 151.56 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 3.07 110.837 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -63.67 -19.66 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 3.61 111.199 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.79 -42.63 99.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 2.51 112.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.34 -17.36 30.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 4.04 110.511 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.32 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 2.12 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.85 -6.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 2.79 111.438 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -72.3 -12.25 61.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 4.15 110.708 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.01 139.91 36.5 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.135 -0.484 . . . . 3.37 110.98 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.69 -51.77 10.37 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.27 1.98 . . . . 2.89 112.118 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -90.33 15.47 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 2.64 110.648 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.654 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -60.56 -47.12 92.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.053 -0.594 . . . . 1.75 112.811 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.39 133.52 50.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 2.23 111.169 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.56 157.03 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.5 110.815 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.75 130.89 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 1.88 111.455 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 211' ' ' LEU . 54.5 tp -85.77 131.24 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 2.67 110.433 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 129.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.622 -0.799 . . . . 1.4 113.013 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 64.0 mt -122.81 132.87 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.689 0.28 . . . . 2.06 110.421 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.69 116.68 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 5.19 111.218 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 118' ' ' LEU . 84.5 mt -84.77 143.15 29.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 3.73 110.685 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.401 ' H ' ' HA ' ' A' ' 216' ' ' SER . 61.2 tttp -112.49 134.6 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 4.63 110.719 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 133.17 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.403 . . . . 3.58 111.211 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 145.6 53.68 0.02 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.484 -0.865 . . . . 3.15 113.049 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 t 57.21 94.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.887 0.375 . . . . 4.35 111.39 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -82.87 -73.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 4.28 111.235 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -111.49 154.41 43.82 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.269 -0.423 . . . . 5.57 111.097 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.71 -0.1 8.61 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.531 2.154 . . . . 3.3 111.887 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -119.5 23.65 8.37 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.299 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 221' ' ' GLN . 2.5 pt? -56.52 -15.03 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.708 0.289 . . . . 4.34 111.405 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -54.37 -40.57 68.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 4.04 111.433 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -58.74 -31.16 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 5.16 110.927 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 80.1 t -79.71 -29.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 3.48 111.223 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.53 -29.94 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 3.6 111.057 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -74.39 -33.4 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 3.01 110.728 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.4 HG23 ' HB ' ' A' ' 176' ' ' THR . 38.8 t -61.86 -28.37 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 3.02 110.846 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 164' ' ' ASP . 0.3 OUTLIER -75.93 -41.97 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 2.72 111.21 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.441 ' N ' HD22 ' A' ' 163' ' ' LEU . 30.3 t70 -54.04 -17.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 2.42 110.68 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 51.5 m -85.84 -43.34 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 2.22 110.687 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.599 HG21 ' HB1' ' A' ' 173' ' ' ALA . 8.6 pt -96.36 43.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 3.02 111.537 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.75 -43.62 94.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 4.14 110.682 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 39.3 p -129.85 158.61 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 2.82 111.117 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -63.65 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 3.97 110.998 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.36 -20.98 20.39 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.828 -0.701 . . . . 2.38 112.819 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -109.19 141.54 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 3.72 110.995 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 89.1 p -101.3 149.89 23.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 2.54 111.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.599 ' HB1' HG21 ' A' ' 166' ' ' ILE . . . -105.51 176.75 5.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 2.36 110.918 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.81 157.65 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 3.74 111.045 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -52.22 137.29 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 5.29 111.082 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.4 ' HB ' HG23 ' A' ' 162' ' ' VAL . 15.4 t -141.65 -172.95 3.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 5.01 110.727 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 54.98 52.74 11.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.446 -0.343 . . . . 7.01 111.008 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -109.0 109.46 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 5.44 110.76 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.27 85.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 3.92 111.061 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.32 -8.74 15.36 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.452 2.101 . . . . 5.03 112.162 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -74.52 -26.23 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 9.4 110.72 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -81.88 3.68 78.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 3.43 112.837 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.51 11.06 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 6.25 110.943 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' ' 185' ' ' PRO . 33.0 tp -82.79 123.65 77.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 5.0 110.744 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . 0.542 ' HD2' HD13 ' A' ' 184' ' ' LEU . 57.8 Cg_endo -71.23 131.14 18.63 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.233 1.956 . . . . 4.45 112.169 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.55 -7.37 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 6.38 111.14 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 56.0 m 59.18 21.98 10.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.072 -0.513 . . . . 5.39 111.16 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 22.3 tp -83.51 155.04 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 4.68 110.697 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.432 ' HB3' ' HG ' ' A' ' 258' ' ' SER . 11.2 m-20 -92.25 150.35 20.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.776 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.431 ' N ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.68 145.1 3.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 3.57 110.907 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.459 ' HB2' ' N ' ' A' ' 258' ' ' SER . 0.1 OUTLIER -126.19 175.99 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 4.84 110.406 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.9 t -118.88 142.86 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 2.03 111.426 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -115.9 103.46 53.5 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 3.02 110.672 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 207' ' ' THR . 56.1 Cg_endo -68.48 131.17 22.49 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.407 2.071 . . . . 1.7 112.262 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.36 -148.81 5.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.647 -0.787 . . . . 1.85 112.739 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 2.97 110.505 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 203' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.021 0.439 . . . . 5.45 110.975 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -106.31 16.79 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.079 -0.51 . . . . 3.98 110.814 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 72.0 m -106.51 41.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 3.13 109.987 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.12 129.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 2.42 111.469 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 194' ' ' PRO . 18.1 m -111.94 146.04 38.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.419 . . . . 1.8 110.637 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -107.94 126.14 52.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.949 0.404 . . . . 3.11 111.285 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 209' ' ' ILE . 4.7 mp -124.55 146.78 29.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.94 -0.573 . . . . 2.13 110.855 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.25 131.55 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 2.73 111.133 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.504 ' HG ' HD12 ' A' ' 143' ' ' LEU . 75.7 mt -79.96 170.31 16.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 4.37 110.917 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -65.25 -54.26 31.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 6.2 110.8 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.08 97.76 6.3 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 5.91 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.05 139.55 56.5 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.613 2.209 . . . . 4.22 112.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.2 pt -68.11 167.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 4.88 111.066 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 148' ' ' LYS . 80.4 p -127.12 165.03 20.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 3.8 111.21 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.84 173.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 3.0 110.96 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 41.8 t -106.01 148.24 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 3.66 111.134 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 84.9 p -65.41 -25.79 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 3.12 110.116 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -80.99 -29.67 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.828 -0.624 . . . . 4.51 110.304 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' A' ' 156' ' ' LEU . 26.7 tt0 -68.99 -44.47 72.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 4.63 110.483 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.5 -0.6 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 2.92 111.192 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.11 -30.3 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 3.21 110.741 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.522 ' HD3' ' HZ3' ' A' ' 227' ' ' LYS . 74.4 mmtt -86.5 -19.35 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 4.23 111.214 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -72.21 -7.01 46.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 4.01 111.346 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -90.23 -8.8 50.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.375 . . . . 5.4 111.048 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . 0.522 ' HZ3' ' HD3' ' A' ' 224' ' ' LYS . 57.1 mttp -92.46 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 3.8 111.73 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.57 162.07 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 3.46 111.136 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.74 159.69 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 3.16 110.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.91 3.32 39.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 6.2 111.117 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 26.7 t-20 . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.468 -0.333 . . . . 4.89 111.345 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 5.59 110.706 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.46 119.17 7.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 5.6 110.668 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.4 HG23 ' OD1' ' A' ' 242' ' ' ASP . 35.0 m -106.44 -172.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 3.98 111.446 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . 0.4 ' OD1' HG23 ' A' ' 241' ' ' VAL . 12.1 m-20 63.93 30.0 14.33 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.092 -0.504 . . . . 3.67 110.523 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.478 HD21 ' H ' ' A' ' 97' ' ' TRP . 63.0 m-20 -104.61 52.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.811 -0.631 . . . . 4.18 110.791 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -143.96 160.91 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 3.85 110.951 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -130.99 152.91 81.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.542 . . . . 4.15 110.829 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.37 170.8 16.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.465 2.11 . . . . 2.75 112.534 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -154.79 36.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.579 . . . . 3.18 110.603 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.53 119.42 50.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 5.96 110.844 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' A' ' 31' ' ' VAL . 72.9 Cg_endo -76.47 128.93 10.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.297 1.998 . . . . 4.47 112.391 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 33.1 tp -78.28 -44.25 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 4.44 110.481 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -148.48 -57.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.648 -0.705 . . . . 7.2 110.552 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.38 -59.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 5.62 110.582 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 62.44 117.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.96 -0.564 . . . . 6.22 111.445 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . 0.503 HE22 ' HA ' ' A' ' 38' ' ' ALA . 49.9 tp60 -104.52 145.79 29.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.579 . . . . 3.56 110.779 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 8.5 tp -97.54 139.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 2.59 110.839 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.41 99.64 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 3.38 111.162 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -126.2 148.54 49.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 1.68 110.77 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.459 ' N ' ' HB2' ' A' ' 191' ' ' TRP . 41.5 t -71.79 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 2.4 110.756 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -112.11 144.82 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.83 110.65 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . 0.471 ' HA ' ' N ' ' A' ' 40' ' ' TYR . 61.4 tttm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.228 -0.892 . . . . 4.92 110.796 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.547 0.213 . . . . 3.85 111.18 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.85 131.36 25.45 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.697 2.265 . . . . 3.29 112.156 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 249' ' ' PRO . 22.2 t -128.54 164.78 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 2.72 110.537 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' VAL . 47.3 m-20 -87.26 98.81 11.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.779 0.323 . . . . 2.44 110.527 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.67 142.56 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.917 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB2' HG21 ' A' ' 37' ' ' THR . 15.4 m-20 -108.84 129.78 55.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 1.53 111.104 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.2 m -71.65 -25.29 62.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 2.28 110.818 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -68.17 -40.83 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 4.16 111.084 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.537 HG21 ' HB2' ' A' ' 34' ' ' ASP . 13.2 t -79.12 -21.15 47.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 2.26 110.996 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.43 151.35 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 1.59 110.674 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -141.58 131.18 23.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 4.1 111.451 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -107.02 125.31 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.958 -0.565 . . . . 4.34 110.59 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -122.87 131.41 24.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 3.04 110.824 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.73 41.29 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.453 2.102 . . . . 2.51 112.486 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -83.95 -41.51 17.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 3.54 110.958 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 ' HD3' ' A' ' 83' ' ' PRO . 1.4 tt -104.74 132.82 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 3.49 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.3 pttt -60.31 152.47 63.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 4.66 110.921 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 125.86 12.09 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.498 2.132 . . . . 2.89 112.037 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.24 132.71 48.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 5.61 110.685 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.6 t -92.89 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 3.01 110.949 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -146.21 143.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.311 -0.404 . . . . 2.88 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -110.18 142.8 41.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.471 . . . . 2.94 110.474 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -168.82 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 5.23 110.828 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.52 -24.92 22.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.961 -0.563 . . . . 4.17 110.366 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -102.19 1.01 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 5.15 110.883 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.36 120.54 5.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.264 -0.426 . . . . 2.19 111.212 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -143.34 132.18 22.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 2.31 111.291 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.3 p -89.88 167.75 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.118 -0.492 . . . . 2.24 110.574 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 tp -120.98 -39.29 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.372 -0.377 . . . . 4.0 111.662 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -174.69 171.45 3.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 5.17 111.465 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 68' ' ' VAL . 55.7 mt -131.76 105.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.681 . . . . 2.2 110.555 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -95.95 157.99 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 3.06 111.521 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -132.97 154.97 49.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.603 . . . . 2.16 110.728 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.93 23.48 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 3.54 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.5 10.52 75.53 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.625 -0.798 . . . . 2.67 112.543 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -149.42 -59.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 5.03 110.609 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.87 161.03 15.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 2.49 110.788 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.65 133.82 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 3.96 111.218 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -133.43 151.5 51.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 3.14 110.666 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 59' ' ' ILE . 14.6 m -117.55 139.79 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 2.51 111.079 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.19 153.14 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.92 0.391 . . . . 3.84 111.426 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -108.73 165.21 11.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 4.98 110.779 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.26 126.3 28.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 3.04 110.695 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -90.69 5.69 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 3.88 110.575 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 m -59.76 -32.06 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 3.52 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -157.18 147.96 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 4.49 110.788 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.56 86.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.607 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 29.9 mmtp -62.92 -72.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 3.74 111.064 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.39 135.18 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.97 111.096 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -135.25 151.43 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 2.27 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -116.25 127.11 54.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.872 0.368 . . . . 2.78 111.368 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -159.34 128.42 5.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 3.11 110.228 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.07 -121.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.278 -0.963 . . . . 2.5 113.366 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.74 -80.0 1.42 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.739 -0.743 . . . . 2.96 113.303 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' HD3' HD22 ' A' ' 44' ' ' LEU . 39.6 Cg_endo -65.93 -1.78 5.66 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.764 2.309 . . . . 4.5 112.818 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.71 134.16 53.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.317 . . . . 3.36 110.81 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.84 -12.88 40.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 5.04 111.228 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.63 -127.51 1.75 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.578 -0.82 . . . . 2.03 112.784 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -112.23 130.49 55.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 2.23 111.384 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.09 134.67 54.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 3.57 110.732 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -103.44 152.89 21.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 4.36 111.09 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 6.5 mp -89.45 139.69 30.27 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.153 -0.476 . . . . 3.01 110.757 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 91' ' ' ILE . 3.9 mp -114.01 -80.72 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.323 -0.399 . . . . 2.89 111.436 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -153.16 163.94 38.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.566 0.222 . . . . 3.0 110.868 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 45.3 p90 -157.42 156.21 31.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 1.76 111.626 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 5.6 p-80 -130.78 167.89 18.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.532 -0.758 . . . . 1.36 110.322 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -112.54 144.78 41.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.309 . . . . 3.9 111.112 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -94.92 173.18 7.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.287 -0.415 . . . . 2.17 110.52 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.573 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 93.2 m95 -133.05 166.31 22.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.831 0.348 . . . . 6.63 111.102 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.421 ' N ' HG21 ' A' ' 241' ' ' VAL . . . -163.14 129.93 2.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.02 -0.609 . . . . 3.04 112.511 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.8 t -76.15 -34.79 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 4.64 111.025 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . 47.8 mt -103.37 141.89 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 5.7 111.069 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.3 -0.06 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 5.38 110.687 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.5 -11.3 51.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.841 -0.695 . . . . 4.71 111.829 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.601 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 10.8 pt20 -144.94 171.63 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.603 0.24 . . . . 5.24 110.612 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.24 -44.2 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.482 -0.866 . . . . 2.08 112.874 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.7 m -96.06 -169.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 2.22 111.238 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -93.35 -79.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 2.64 111.123 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.02 163.71 27.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 2.79 110.768 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.48 HG21 ' HG3' ' A' ' 113' ' ' LYS . 29.6 p -133.09 149.43 52.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 2.38 111.527 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.84 145.72 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 2.7 110.767 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.9 t70 53.38 34.41 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.841 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 61.61 25.3 15.24 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.029 -0.532 . . . . 3.86 111.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -134.91 125.61 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.322 -0.399 . . . . 4.34 110.846 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.658 ' HB2' ' HZ1' ' A' ' 113' ' ' LYS . 4.4 ttmp? -88.89 147.18 24.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 3.01 110.83 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.433 ' HD1' ' HB3' ' A' ' 148' ' ' LYS . 95.6 m-85 -77.04 166.02 23.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 2.48 111.063 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.54 40.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.098 -0.501 . . . . 2.1 111.107 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -171.55 169.18 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 1.99 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.02 145.63 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 2.4 110.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.495 HD21 ' HB ' ' A' ' 145' ' ' ILE . 4.4 pp -86.88 147.55 25.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.742 0.306 . . . . 2.52 110.715 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -110.67 95.01 5.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.93 111.087 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 1.6 tt -107.46 129.73 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.997 -0.372 . . . . 2.98 109.997 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.404 ' N ' HD23 ' A' ' 120' ' ' LEU . 25.1 m -104.83 141.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 2.44 111.738 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.482 ' ND1' HD22 ' A' ' 143' ' ' LEU . 35.7 m80 -127.63 150.72 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 3.2 109.964 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -158.89 130.46 6.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 4.68 111.232 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 55.9 t30 -69.93 126.28 29.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.599 -0.728 . . . . 2.56 110.838 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 t -73.55 -15.06 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 2.19 111.818 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.447 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 17.3 tppt? -57.84 -28.04 63.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 4.02 111.045 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -78.06 -25.64 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 4.5 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.9 -36.48 2.69 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.794 -0.717 . . . . 2.38 112.743 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -139.96 143.98 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 3.07 110.891 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.74 -24.09 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 3.61 110.96 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -68.91 -26.51 74.59 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.71 -0.757 . . . . 2.51 112.469 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.3 -32.96 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 4.04 110.771 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 2.12 111.62 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.414 HG11 HD21 ' A' ' 140' ' ' LEU . 23.8 m -60.95 -17.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 2.79 111.434 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -72.13 -7.21 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 4.15 110.762 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -116.27 135.95 22.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 3.37 110.644 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.46 -26.97 83.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.474 2.116 . . . . 2.89 112.203 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.39 20.2 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 2.64 111.183 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.11 -77.95 0.17 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.676 -0.773 . . . . 1.75 112.548 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.414 HD21 HG11 ' A' ' 134' ' ' VAL . 2.4 pt? -102.33 148.25 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.704 0.288 . . . . 2.23 110.53 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.31 159.99 26.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 1.5 111.307 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 111.59 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.88 111.114 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.694 HD12 ' HB ' ' A' ' 209' ' ' ILE . 4.0 mm? -89.87 121.23 31.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 2.67 110.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.19 134.95 7.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 1.4 112.679 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.495 ' HB ' HD21 ' A' ' 118' ' ' LEU . 62.2 mt -108.32 117.48 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 2.06 110.852 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.33 96.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 5.19 111.056 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 216' ' ' SER . 74.7 mt -61.94 133.51 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 3.73 110.944 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.433 ' HB3' ' HD1' ' A' ' 114' ' ' TYR . 13.9 ptmm? -143.01 168.48 19.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.936 0.398 . . . . 4.63 111.281 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 218' ' ' SER . 92.7 t -79.08 116.41 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.947 -0.57 . . . . 3.58 110.885 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.87 -142.34 7.81 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.558 -0.829 . . . . 3.15 112.802 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m -96.53 -1.93 46.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 4.35 110.927 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.509 ' HA ' ' HB ' ' A' ' 217' ' ' VAL . . . 63.07 171.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.905 -0.588 . . . . 4.28 111.846 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 20.8 ttmm -112.61 127.47 26.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.814 -0.63 . . . . 5.57 110.921 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.75 -26.07 16.4 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.323 2.015 . . . . 3.3 112.3 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.25 65.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 2.71 112.533 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 39.3 tp -68.31 -5.68 19.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 4.34 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -53.58 -27.12 24.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.312 -0.404 . . . . 4.04 110.82 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -59.45 -39.07 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 5.16 110.365 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 96.7 t -79.89 -29.28 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 3.48 110.701 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.79 -36.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 3.6 110.816 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.31 -43.19 86.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.055 -0.521 . . . . 3.01 110.501 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.9 -31.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 3.02 110.679 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -35.51 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 2.72 111.188 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.29 -12.7 1.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 2.42 110.866 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.3 t -92.1 -34.08 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 2.22 111.278 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.13 51.26 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.22 0.534 . . . . 3.02 110.722 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.65 -47.48 39.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 4.14 110.828 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 62.2 p -104.71 147.34 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 2.82 111.18 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.61 ' HB2' ' HZ1' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.57 147.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 3.97 110.61 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.37 27.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.843 -0.694 . . . . 2.38 112.377 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.84 174.83 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 3.72 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 54.0 m -126.74 163.68 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 2.54 110.753 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -162.03 132.23 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 2.36 111.014 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.33 124.49 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 3.74 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -138.62 105.0 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 5.29 110.77 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.7 t -124.76 -178.02 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 5.01 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.67 57.11 3.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 7.01 111.113 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -80.63 148.9 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 5.44 110.711 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -106.35 93.25 7.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 3.92 110.944 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.59 -8.07 20.14 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 5.03 112.576 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 41.2 ttm180 -71.94 -16.17 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 9.4 110.777 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -92.36 0.68 71.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.65 -0.786 . . . . 3.43 112.506 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.59 18.57 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 6.25 110.986 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 181' ' ' ARG . 96.1 mt -57.18 133.31 80.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 5.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.81 128.01 11.29 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.504 2.136 . . . . 4.45 112.29 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.31 -16.1 50.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 6.38 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.0 t -129.2 154.53 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 5.39 111.111 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.55 HD21 ' HZ3' ' A' ' 212' ' ' LYS . 94.6 mt -111.87 67.35 0.65 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 4.68 110.785 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.35 154.24 40.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 3.78 110.832 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -154.67 167.35 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 3.57 110.566 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -120.54 139.2 53.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 4.84 110.568 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -120.7 147.39 45.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.377 -0.374 . . . . 2.03 111.096 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -167.03 87.67 0.79 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 3.02 110.994 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.579 ' HA ' HG22 ' A' ' 207' ' ' THR . 94.2 Cg_endo -77.84 136.17 14.82 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.439 2.093 . . . . 1.7 111.851 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.99 -140.44 2.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.234 -0.984 . . . . 1.85 113.118 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 120.549 0.214 . . . . 2.97 110.656 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.788 0.327 . . . . 5.45 111.1 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.6 16.95 21.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.528 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 31.6 p -78.79 2.0 21.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 3.13 110.456 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 122.93 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.715 -0.675 . . . . 2.42 110.74 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 194' ' ' PRO . 22.4 m -113.01 140.52 47.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 1.8 111.155 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -106.25 108.59 20.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 3.11 110.72 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.694 ' HB ' HD12 ' A' ' 143' ' ' LEU . 3.2 mp -120.03 161.64 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 2.13 110.558 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 36.6 t -123.36 104.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 2.73 111.229 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.432 ' HB2' HG12 ' A' ' 145' ' ' ILE . 76.9 mt -54.4 138.55 39.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.999 -0.546 . . . . 4.37 111.046 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.55 ' HZ3' HD21 ' A' ' 188' ' ' LEU . 15.0 ptmm? -70.54 -6.68 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 6.2 110.74 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.36 162.3 6.31 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.07 -0.514 . . . . 5.91 111.268 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.27 173.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.801 2.334 . . . . 4.22 112.938 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . 0.629 ' H ' HD11 ' A' ' 215' ' ' ILE . 0.2 OUTLIER -118.29 172.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.879 -0.601 . . . . 4.88 111.307 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' SER . . . . . 0.502 ' HB2' ' HB3' ' A' ' 147' ' ' LEU . 42.1 t -50.96 172.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.087 0.47 . . . . 3.8 111.649 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' A' ' 152' ' ' ALA . 17.6 m -99.05 177.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 3.0 111.499 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 149' ' ' VAL . 39.0 t -62.32 164.68 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 3.66 111.216 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 222' ' ' VAL . 84.2 p -74.39 -27.25 60.55 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.923 -0.58 . . . . 3.12 110.834 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.31 -21.02 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 4.51 110.638 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 223' ' ' LEU . 56.4 tp60 -85.03 -34.34 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 4.63 110.865 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 219' ' ' SER . 33.7 m -80.75 27.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.412 . . . . 2.92 110.97 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 226' ' ' ARG . 42.3 tp -70.75 -30.63 67.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 3.21 109.91 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . 0.533 ' HD3' ' HZ1' ' A' ' 227' ' ' LYS . 34.8 mmtp -85.48 -17.83 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.592 -0.731 . . . . 4.23 110.373 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -86.12 -36.84 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.862 -0.608 . . . . 4.01 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 223' ' ' LEU . 13.0 ptp180 -65.32 -14.02 59.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 5.4 110.769 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . 0.533 ' HZ1' ' HD3' ' A' ' 224' ' ' LYS . 60.1 mttp -70.64 -7.96 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 3.8 111.083 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.24 162.23 20.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 3.46 110.753 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -119.7 140.58 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 3.16 111.122 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.405 ' HA ' ' SD ' ' A' ' 240' ' ' MET . 38.2 t80 -55.81 -45.1 78.37 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 6.2 110.336 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 18.6 m120 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.829 -0.623 . . . . 4.89 110.626 179.614 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.764 0.316 . . . . 5.59 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 230' ' ' PHE . 14.8 tpt -78.74 87.82 4.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 5.6 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.493 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.3 p -162.9 110.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 3.98 111.431 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 21.7 t70 179.91 41.0 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.157 -0.474 . . . . 3.67 110.692 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.573 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 32.4 m-80 -117.21 54.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 4.18 111.35 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -110.16 159.82 17.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 3.85 110.824 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -140.75 157.69 67.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 4.15 111.189 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.63 173.06 3.06 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.475 2.117 . . . . 2.75 112.236 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.58 38.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 3.18 110.983 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.25 142.08 97.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 5.96 110.579 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . 0.552 ' HA ' HG12 ' A' ' 31' ' ' VAL . 86.1 Cg_endo -82.92 123.38 3.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.307 2.005 . . . . 4.47 112.797 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.47 -48.47 12.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 4.44 110.418 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -171.57 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.674 -0.694 . . . . 7.2 111.018 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.04 91.61 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.356 -0.384 . . . . 5.62 110.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -95.17 -57.68 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 6.22 111.231 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -158.06 132.07 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.343 . . . . 3.56 111.271 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 6.5 tp -116.4 136.32 53.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.178 -0.465 . . . . 2.59 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -106.41 140.98 38.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.399 . . . . 3.38 110.951 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.502 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.29 167.5 19.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 1.68 111.056 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 34.8 t -97.18 18.15 15.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 2.4 110.721 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -114.83 136.78 52.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.795 -0.639 . . . . 3.83 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.268 -0.872 . . . . 4.92 110.791 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.591 0.234 . . . . 3.85 110.712 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.73 125.43 15.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.578 2.185 . . . . 3.29 112.387 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -131.44 140.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.093 -0.503 . . . . 2.72 110.987 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.58 133.84 53.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.0 -0.545 . . . . 2.44 110.931 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 33' ' ' ILE . 4.6 mp -98.87 131.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 1.95 110.885 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 37' ' ' THR . 6.4 m-20 -102.84 129.27 49.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.06 0.457 . . . . 1.53 111.182 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 m -80.11 -15.73 56.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.626 . . . . 2.28 110.275 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -83.21 -35.6 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.518 -0.764 . . . . 4.16 111.307 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.0 t -74.43 -14.95 60.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 2.26 111.156 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.55 156.98 24.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 1.59 110.953 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.61 145.74 45.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.526 -0.306 . . . . 4.1 110.789 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -101.65 107.48 18.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.06 0.457 . . . . 4.34 111.444 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -120.73 120.64 29.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 3.04 110.472 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.78 86.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.323 2.015 . . . . 2.51 112.605 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -89.71 -45.64 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 3.54 110.354 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD21 ' HA3' ' A' ' 81' ' ' GLY . 37.4 tp -141.68 131.41 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.792 -0.64 . . . . 3.49 110.288 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -108.32 155.35 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 4.66 111.142 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.08 125.7 12.83 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.137 1.891 . . . . 2.89 111.816 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' HE2' ' A' ' 80' ' ' LYS . 47.6 tp -112.42 -56.44 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 5.61 110.818 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 m -135.49 137.71 42.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 3.01 110.999 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG11 HD13 ' A' ' 79' ' ' LEU . 4.6 m -142.92 124.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 2.88 111.308 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.486 ' HB2' HG23 ' A' ' 78' ' ' VAL . 24.5 m -113.78 145.87 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 2.94 111.061 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -179.61 40.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.959 -0.564 . . . . 5.23 110.66 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.75 -31.7 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.895 -0.593 . . . . 4.17 110.739 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.86 4.4 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 5.15 110.835 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.42 120.33 8.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 2.19 111.473 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 m -139.65 135.41 33.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.338 -0.392 . . . . 2.31 111.03 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -134.48 31.38 3.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.494 . . . . 2.24 111.046 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.46 -2.44 51.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 4.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -116.4 123.71 48.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 5.17 110.848 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.59 ' HB ' HD12 ' A' ' 166' ' ' ILE . 76.0 mt -131.24 103.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 2.2 111.053 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -113.21 140.09 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 3.06 110.534 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -108.74 167.55 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 2.16 111.301 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.61 17.0 23.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 3.54 111.516 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.94 14.36 59.43 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.587 -0.816 . . . . 2.67 112.681 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -170.71 -52.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 5.03 111.196 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.23 150.75 24.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 2.49 110.998 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -122.01 143.85 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 3.96 111.103 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -129.67 104.66 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 3.14 110.608 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.43 116.67 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.354 . . . . 2.51 111.482 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 9.9 tp10 178.86 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.22 -0.445 . . . . 3.84 110.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.432 ' HB3' ' HD3' ' A' ' 76' ' ' LYS . 27.7 m-85 -129.76 168.49 16.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.344 -0.389 . . . . 4.98 110.717 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 m-20 -64.99 148.89 50.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 3.04 110.46 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.51 14.41 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 3.88 111.151 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.8 p -78.2 -43.52 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 3.52 110.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -167.09 -171.25 1.72 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 4.49 111.156 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.31 144.55 32.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.253 -0.43 . . . . 2.84 110.997 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 14.4 mptt -115.14 -83.0 0.62 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 3.74 111.385 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.85 141.31 36.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 1.97 111.567 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 50' ' ' SER . 27.2 m -135.65 167.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 2.27 110.646 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.527 HD13 HG11 ' A' ' 49' ' ' VAL . 25.8 tp -130.35 138.31 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 2.78 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HE2' HD23 ' A' ' 47' ' ' LEU . 87.6 tttt -140.83 138.28 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.35 -0.387 . . . . 3.11 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' HA3' HD21 ' A' ' 44' ' ' LEU . . . -96.91 -177.99 34.92 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.847 -0.692 . . . . 2.5 112.522 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.51 -93.53 0.01 OUTLIER Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.874 -0.679 . . . . 2.96 112.757 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.416 ' HD2' HD11 ' A' ' 44' ' ' LEU . 37.2 Cg_endo -65.17 -5.05 10.23 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.554 2.17 . . . . 4.5 112.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.409 HD21 ' HE1' ' A' ' 88' ' ' TYR . 35.6 tp -78.49 137.58 38.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 3.36 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 54.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 5.04 110.69 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.16 116.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.888 -0.673 . . . . 2.03 112.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.9 p -83.49 118.36 23.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 2.23 111.22 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' HE1' HD21 ' A' ' 84' ' ' LEU . 35.6 m-85 -89.69 117.07 28.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 3.57 111.04 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HG2' HG12 ' A' ' 78' ' ' VAL . 99.0 mtt180 -94.22 141.1 28.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 4.36 110.548 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.2 mt -82.5 132.56 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.86 0.362 . . . . 3.01 110.871 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.49 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 2.89 111.256 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.533 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . 18.6 pt20 -159.77 170.39 21.59 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.715 -0.22 . . . . 3.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -141.61 173.04 11.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 1.76 110.839 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.482 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.2 p-80 -149.8 167.98 25.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.265 -0.425 . . . . 1.36 110.836 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -117.33 162.1 18.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.885 0.374 . . . . 3.9 111.565 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -120.7 166.31 13.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.909 -0.587 . . . . 2.17 110.478 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -171.13 100.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 6.63 110.461 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.534 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -58.73 -178.46 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.889 -0.672 . . . . 3.04 112.829 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -101.13 2.77 40.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 4.64 110.567 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 mt -92.65 145.76 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.855 -0.611 . . . . 5.7 110.899 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 30.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 5.38 110.955 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -145.09 -51.06 0.03 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.575 -0.821 . . . . 4.71 112.603 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.97 176.19 9.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.613 0.244 . . . . 5.24 110.747 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.01 51.22 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.362 -0.923 . . . . 2.08 113.08 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.62 ' H ' ' HE2' ' A' ' 113' ' ' LYS . 42.1 t -107.67 175.44 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.611 0.243 . . . . 2.22 110.7 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.46 ' HG2' ' HB2' ' A' ' 245' ' ' ARG . 41.1 mt-10 -73.3 -83.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.64 110.656 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -103.71 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 2.79 110.249 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.8 p -116.58 116.97 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 2.38 111.653 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.31 143.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 2.7 110.48 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.0 t70 54.75 30.42 13.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.36 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 63.94 25.53 13.96 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.872 -0.604 . . . . 3.86 111.375 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -129.27 146.7 51.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 4.34 111.097 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.62 ' HE2' ' H ' ' A' ' 105' ' ' SER . 75.1 tttt -117.31 150.17 39.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 3.01 110.608 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.46 164.22 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 2.48 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.1 -22.7 23.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.301 -0.409 . . . . 2.1 111.049 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.98 158.48 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.99 110.715 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 11.2 pt-20 -152.46 140.99 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 2.4 111.679 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 66.2 mt -87.01 148.14 25.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.232 -0.44 . . . . 2.52 110.51 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 2.9 m170 -126.91 100.78 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 1.93 111.234 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.45 HD12 HD23 ' A' ' 143' ' ' LEU . 5.5 tt -92.38 123.02 35.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.98 110.325 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.409 HG12 HG11 ' A' ' 142' ' ' VAL . 5.7 m -110.93 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.44 111.384 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -116.57 118.25 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 3.2 110.78 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.591 ' HB3' HD12 ' A' ' 140' ' ' LEU . 26.0 m0 -109.19 120.13 41.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 4.68 110.581 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -55.87 128.28 34.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 2.56 110.727 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -58.93 -14.4 9.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 2.19 111.154 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.87 -14.2 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.703 -0.681 . . . . 4.02 111.458 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.48 ' HD1' ' HB1' ' A' ' 133' ' ' ALA . 2.3 p90 -77.39 -29.64 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.449 -0.341 . . . . 4.5 111.502 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 2.38 112.347 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.16 172.04 13.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.642 0.258 . . . . 3.07 110.923 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -57.09 -43.61 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 3.61 111.236 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.56 -42.4 57.88 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.859 -0.686 . . . . 2.51 112.718 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 96.7 mttt -83.25 -17.47 42.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 4.04 110.703 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.48 ' HB1' ' HD1' ' A' ' 127' ' ' TYR . . . -65.38 -50.9 63.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 2.12 110.609 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -64.0 -22.7 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 2.79 110.841 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -81.79 -24.07 36.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 4.15 110.851 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -117.34 83.37 16.17 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.155 -0.475 . . . . 3.37 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.65 -35.84 98.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.463 2.109 . . . . 2.89 112.5 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.87 25.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 2.64 111.483 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.13 -21.58 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.615 -0.802 . . . . 1.75 112.427 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 123' ' ' TRP . 1.3 mm? -113.2 117.16 31.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.7 0.286 . . . . 2.23 110.645 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -109.07 156.45 19.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 1.5 111.15 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 209' ' ' ILE . 40.5 t -129.92 113.87 28.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 1.88 111.4 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 65.1 tp -85.66 144.34 27.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 2.67 110.878 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.76 118.18 2.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 1.4 112.688 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 60.6 mt -102.91 143.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 2.06 110.725 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -121.26 122.1 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.528 -0.305 . . . . 5.19 110.991 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.437 HD12 ' HG ' ' A' ' 118' ' ' LEU . 14.7 mt -105.29 160.83 14.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 3.73 110.885 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -148.1 142.3 26.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 4.63 110.997 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.02 122.38 16.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.317 -0.401 . . . . 3.58 110.94 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.75 -86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 3.15 112.57 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.9 m -154.52 105.97 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 4.35 110.753 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.11 169.99 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 4.28 111.038 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.508 ' HB3' ' HZ2' ' A' ' 153' ' ' LYS . 0.1 OUTLIER -101.59 149.22 36.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 5.57 110.897 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.489 ' HD2' HH12 ' A' ' 181' ' ' ARG . 50.3 Cg_endo -69.87 -2.68 10.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.534 2.156 . . . . 3.3 112.047 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.97 -56.47 6.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.881 -0.676 . . . . 2.71 112.391 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.9 mp -96.01 0.45 51.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 4.34 110.923 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 4.04 110.616 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -84.91 -24.56 28.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 5.16 111.042 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.411 ' O ' HG21 ' A' ' 162' ' ' VAL . 59.2 t -67.54 -39.82 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 3.48 111.881 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.85 -15.51 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 3.6 111.415 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.95 -47.54 24.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.301 -0.408 . . . . 3.01 110.785 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 159' ' ' VAL . 15.0 m -71.03 -17.34 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 3.02 110.688 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 2.72 110.93 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.83 -17.87 4.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 2.42 110.496 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.6 t -82.05 -43.78 17.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.906 -0.588 . . . . 2.22 110.216 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.59 HD12 ' HB ' ' A' ' 59' ' ' ILE . 3.6 pt -92.08 30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.964 -0.562 . . . . 3.02 110.763 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.25 -46.43 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.839 -0.619 . . . . 4.14 111.06 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 63.8 p -83.11 169.49 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 2.82 110.815 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -80.53 144.19 32.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 3.97 111.0 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.76 68.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 2.38 112.47 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -109.62 120.95 44.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 3.72 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 39.4 t -106.36 168.93 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 2.54 110.464 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.94 141.69 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 2.36 111.178 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -85.56 156.11 20.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 3.74 110.605 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -97.25 128.46 44.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 5.29 110.909 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 32.5 m -151.87 151.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 5.01 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.7 m120 60.16 55.84 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 7.01 110.571 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -52.07 149.4 5.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.841 -0.618 . . . . 5.44 111.141 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.6 108.82 27.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.55 . . . . 3.92 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.83 -16.36 49.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.226 1.951 . . . . 5.03 112.202 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . 0.489 HH12 ' HD2' ' A' ' 154' ' ' PRO . 17.4 ptp180 -76.17 -24.76 54.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 9.4 110.73 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -80.31 14.57 21.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.86 -0.686 . . . . 3.43 112.614 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.52 17.21 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 6.25 110.791 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.54 146.47 85.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.1 -0.5 . . . . 5.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.94 128.04 9.74 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.471 2.114 . . . . 4.45 112.559 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . 0.551 ' HG3' ' HH ' ' A' ' 190' ' ' TYR . 9.7 tp10 -81.2 -7.28 59.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 6.38 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.9 t -86.81 100.49 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 5.39 111.074 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.431 ' HG ' ' OD1' ' A' ' 189' ' ' ASP . 62.9 tp -168.1 -73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 4.68 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.431 ' OD1' ' HG ' ' A' ' 188' ' ' LEU . 35.3 m-20 -145.23 164.38 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.78 110.794 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.551 ' HH ' ' HG3' ' A' ' 186' ' ' GLU . 71.2 m-85 -144.83 167.83 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 3.57 110.975 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.472 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 15.6 t-105 -147.63 116.92 6.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 4.84 110.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 6.2 t -146.81 169.06 19.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 2.03 111.754 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . 0.433 ' HB2' HG13 ' A' ' 255' ' ' ILE . 22.1 t80 -158.06 117.25 1.86 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 115.78 -0.645 . . . . 3.02 110.346 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.55 ' HA ' HG21 ' A' ' 207' ' ' THR . 74.0 Cg_exo -48.7 127.58 16.74 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.218 1.945 . . . . 1.7 112.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -105.07 119.09 6.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.85 112.773 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' SER . . . . . 0.417 ' HB2' ' H ' ' A' ' 203' ' ' LEU . 97.5 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.594 0.235 . . . . 2.97 110.432 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 203' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 5.45 110.62 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -68.16 -74.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 3.98 110.727 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.4 p -174.69 35.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 3.13 110.505 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.3 121.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 2.42 111.175 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 194' ' ' PRO . 27.0 m -109.13 146.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 1.8 110.453 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -92.03 107.89 19.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 3.11 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.2 mm -103.66 155.81 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 2.13 110.513 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 62.2 t -144.62 135.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 2.73 111.076 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.58 151.46 37.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 4.37 110.478 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 64.7 pttt -52.96 -46.26 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 6.2 111.25 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 212' ' ' LYS . 42.5 mm-40 -131.99 99.04 16.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 5.91 111.126 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.42 131.08 40.7 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.284 1.989 . . . . 4.22 112.044 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 33.7 pt -77.28 164.53 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 4.88 111.405 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 24.2 m -125.79 144.41 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 3.8 110.743 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 147' ' ' LEU . 33.6 m -131.49 164.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 3.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 48.2 t -109.72 160.03 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.455 -0.339 . . . . 3.66 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.499 ' HB2' HH22 ' A' ' 226' ' ' ARG . 89.2 p -55.21 -23.43 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 3.12 110.974 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.97 -32.59 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 4.51 110.456 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.59 -35.04 76.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 4.63 110.449 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.6 m -94.98 -1.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 2.92 110.898 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.553 HD12 ' HD2' ' A' ' 226' ' ' ARG . 49.4 tp -64.25 -29.54 70.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 3.21 110.535 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.863 -0.608 . . . . 4.23 110.787 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -87.68 -24.97 23.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 4.01 111.058 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.553 ' HD2' HD12 ' A' ' 223' ' ' LEU . 98.9 mtt180 -64.21 -20.39 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 5.4 111.045 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.46 -20.51 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 3.8 110.891 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.73 162.19 19.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 3.46 111.216 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.75 148.65 32.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.56 . . . . 3.16 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.453 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 51.7 p90 -72.16 -8.64 55.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.019 -0.537 . . . . 6.2 111.258 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 4.89 111.114 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.79 0.328 . . . . 5.59 110.81 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.517 ' HE1' HD22 ' A' ' 243' ' ' ASN . 45.6 ttp -64.99 125.39 24.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 5.6 110.767 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.14 179.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 3.98 111.396 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 12.3 t70 65.96 42.37 3.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.13 -0.486 . . . . 3.67 110.302 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.534 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 2.7 m-20 -96.27 51.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.737 -0.665 . . . . 4.18 111.426 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -97.91 148.35 23.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 3.85 110.792 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.46 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 35.4 mmt180 -140.74 151.78 64.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 4.15 110.934 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -78.03 151.34 27.2 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.543 2.162 . . . . 2.75 112.182 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.56 -173.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 3.18 111.046 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.8 143.73 50.18 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 5.96 110.846 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.11 126.02 8.31 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.579 2.186 . . . . 4.47 112.748 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 32.8 tp -72.71 -27.84 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 4.44 110.274 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.04 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 7.2 111.788 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -145.63 -54.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 5.62 111.142 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -50.65 144.33 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 6.22 111.068 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -102.32 171.53 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 3.56 110.925 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.433 HG13 ' HB2' ' A' ' 193' ' ' TYR . 1.8 mp -68.09 116.36 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 2.59 111.068 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -88.23 78.92 7.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 3.38 110.489 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.78 162.51 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.68 111.007 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 97.0 p -106.93 1.38 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 2.4 110.651 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -112.26 143.57 43.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.542 . . . . 3.83 110.895 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 65.0 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.192 -0.909 . . . . 4.92 110.984 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.342 0.115 . . . . 3.85 110.77 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.62 125.16 18.14 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.513 2.142 . . . . 3.29 112.186 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.532 HG23 ' H ' ' A' ' 32' ' ' ASP . 3.4 p -133.14 176.58 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 2.72 110.823 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.532 ' H ' HG23 ' A' ' 31' ' ' VAL . 6.5 p-10 -84.25 112.91 20.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 2.44 110.768 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 33' ' ' ILE . 4.7 mp -91.71 106.44 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 1.95 110.961 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' HG23 ' A' ' 37' ' ' THR . 3.6 m-20 -113.13 129.49 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 1.53 111.193 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 m -60.9 -19.97 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 2.28 110.726 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -82.53 -41.11 20.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 4.16 111.583 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -74.81 -19.66 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 2.26 111.092 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.52 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 1.59 110.772 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -128.19 144.65 51.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.372 . . . . 4.1 111.13 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -81.25 98.12 7.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 4.34 110.724 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -117.15 92.27 39.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 3.04 111.417 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.88 86.08 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.426 2.084 . . . . 2.51 112.179 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.3 p -89.76 -42.48 11.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 3.54 111.099 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.3 mt -145.66 87.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.49 111.179 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.59 149.05 95.42 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.839 -0.619 . . . . 4.66 110.879 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.04 126.94 15.95 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.485 2.123 . . . . 2.89 112.449 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.0 -49.38 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 5.61 111.124 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -132.81 135.81 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 3.01 111.356 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG13 ' HG ' ' A' ' 79' ' ' LEU . 61.6 t -145.16 130.18 13.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.863 -0.608 . . . . 2.88 110.412 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.3 t -107.16 135.01 49.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 2.94 111.319 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -169.7 40.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 5.23 110.797 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -91.58 -43.43 9.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.11 -0.495 . . . . 4.17 110.463 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -85.11 -9.03 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 5.15 110.331 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.6 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.1 120.19 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.968 -0.56 . . . . 2.19 110.991 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -160.1 144.87 14.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 2.31 111.603 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.7 p -103.14 162.05 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 2.24 110.123 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.6 mt -120.7 -39.04 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.68 -0.236 . . . . 4.0 111.516 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -171.09 158.7 5.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 5.17 111.183 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.413 HD11 ' N ' ' A' ' 59' ' ' ILE . 4.9 mp -132.42 116.01 27.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 2.2 110.793 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -101.83 152.38 20.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.572 -0.286 . . . . 3.06 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.413 ' ND2' HG21 ' A' ' 166' ' ' ILE . 2.1 m-20 -103.69 153.4 20.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.258 -0.428 . . . . 2.16 111.259 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -106.54 18.65 21.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.918 -0.583 . . . . 3.54 111.005 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.423 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 97.71 10.88 52.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 2.67 112.474 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.583 ' HA ' ' HG2' ' A' ' 169' ' ' LYS . 23.7 p80 -176.89 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.711 0.291 . . . . 5.03 110.784 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.08 21.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 2.49 110.605 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -142.69 138.12 30.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 3.96 111.564 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 3.6 p-10 -117.09 148.25 41.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 3.14 110.609 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.41 ' HA ' HG13 ' A' ' 59' ' ' ILE . 13.3 p -81.4 147.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 2.51 111.424 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -110.15 145.01 37.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 3.84 110.86 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -120.45 145.14 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 4.98 110.521 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.35 149.84 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 3.04 110.78 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -86.34 33.69 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 3.88 111.59 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -89.63 -0.12 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 3.52 111.013 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 60.71 176.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.184 -0.462 . . . . 4.49 111.085 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 39.38 51.11 2.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 2.84 111.643 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.6 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 15.4 tppt? -86.26 -58.72 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.74 110.922 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.598 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . . . -160.11 119.75 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 1.97 111.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -128.15 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.006 -0.543 . . . . 2.27 110.558 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HG ' HG13 ' A' ' 49' ' ' VAL . 5.3 mp -127.0 151.52 48.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 2.78 111.347 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -159.37 165.8 32.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 3.11 110.533 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.11 86.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 2.5 112.849 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.74 -178.13 16.49 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.628 -0.796 . . . . 2.96 112.633 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.09 0.85 9.3 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.459 2.106 . . . . 4.5 111.962 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.1 140.93 36.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 3.36 110.783 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.33 11.8 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 5.04 110.7 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 44.34 1.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 2.03 112.344 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 t -54.28 142.92 24.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 2.23 111.253 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -97.72 133.71 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 3.57 110.65 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.84 146.95 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 4.36 111.345 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' HE2' ' A' ' 122' ' ' HIS . 61.3 tp -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 3.01 110.445 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.522 ' HB ' HG23 ' A' ' 121' ' ' VAL . 3.5 mp -102.85 -71.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 2.89 111.541 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.497 ' HG2' HG21 ' A' ' 91' ' ' ILE . 14.2 pt20 -159.33 171.92 18.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.82 0.343 . . . . 3.0 111.131 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.55 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 40.2 p90 -148.02 146.38 28.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.76 111.114 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -120.5 169.58 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 1.36 110.873 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -109.71 149.51 29.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 3.9 111.089 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -113.21 169.82 8.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 2.17 110.982 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -176.05 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 6.63 110.749 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' HA2' HG23 ' A' ' 241' ' ' VAL . . . -136.44 7.44 3.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.52 -0.848 . . . . 3.04 113.244 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 -35.3 7.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.918 0.359 . . . . 4.64 111.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.2 mt -154.22 117.47 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 5.7 110.423 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.72 83.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 5.38 110.521 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' HA3' HG22 ' A' ' 241' ' ' VAL . . . -91.16 -45.72 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 4.71 112.293 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -139.15 131.87 29.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 5.24 110.9 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.47 ' HA2' ' HG3' ' A' ' 113' ' ' LYS . . . 72.55 -11.99 3.84 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.79 -0.719 . . . . 2.08 113.119 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.1 t 64.59 133.04 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.014 0.435 . . . . 2.22 111.245 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.86 -13.75 17.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 2.64 110.744 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -100.66 175.07 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 2.79 110.586 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 61.4 m -82.11 127.27 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 2.38 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.1 m -83.51 159.54 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.7 111.54 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 112' ' ' LYS . 16.2 t70 -122.16 74.72 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.644 -0.707 . . . . 2.18 110.136 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 67.62 -2.41 1.35 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.9 -0.591 . . . . 3.86 111.288 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 110' ' ' ASP . 53.0 pttt -136.41 120.71 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 4.34 110.821 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HG3' ' HA2' ' A' ' 104' ' ' GLY . 24.7 ttmm -80.39 149.32 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 3.01 110.956 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.93 98.98 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 2.48 110.332 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.84 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 2.1 111.098 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -123.93 168.04 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.99 110.569 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 43.2 mt-10 -150.48 141.6 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.868 0.366 . . . . 2.4 111.566 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.582 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.5 mt -86.57 148.17 25.62 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.081 -0.509 . . . . 2.52 110.41 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 97.74 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 1.93 111.264 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.55 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 8.3 mp -89.39 134.55 34.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.406 . . . . 2.98 110.29 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.522 HG23 ' HB ' ' A' ' 91' ' ' ILE . 7.2 m -103.26 121.64 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 2.44 111.444 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.419 ' HE2' HD12 ' A' ' 90' ' ' LEU . 21.8 m-70 -131.71 158.57 40.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.033 -0.53 . . . . 3.2 110.749 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -169.86 143.51 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 4.68 110.608 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.22 127.87 33.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 2.56 111.097 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 t -74.52 -14.69 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 2.19 110.917 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.84 -26.88 59.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 4.02 110.941 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.665 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 97.6 m-85 -79.61 -27.85 41.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 4.5 111.042 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.79 -71.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 2.38 112.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.39 172.04 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 3.07 110.945 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -55.73 -37.78 68.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 3.61 110.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.82 68.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.843 -0.694 . . . . 2.51 112.565 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -88.89 -25.16 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 4.04 110.754 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.79 -39.91 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 2.12 111.132 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.65 -11.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 2.79 111.29 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.08 -10.45 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 4.15 110.773 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -138.2 129.57 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.01 -0.541 . . . . 3.37 110.512 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.45 -32.69 24.79 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 2.89 112.282 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -106.91 26.59 9.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 2.64 110.69 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.665 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -99.88 -18.27 23.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.797 -0.716 . . . . 1.75 112.474 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -126.48 151.61 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 2.23 110.907 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.3 135.37 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 1.5 111.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.47 HG23 HG12 ' A' ' 206' ' ' VAL . 27.8 t -105.52 121.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 1.88 111.077 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.406 HD12 ' HB ' ' A' ' 209' ' ' ILE . 4.5 mm? -85.94 106.36 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 2.67 111.15 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -100.15 109.9 3.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.902 -0.666 . . . . 1.4 112.251 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.587 HD11 ' HG ' ' A' ' 211' ' ' LEU . 48.6 mm -104.28 143.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 2.06 111.292 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 53.2 p90 -108.54 151.44 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 5.19 110.96 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.0 mt -122.36 119.84 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 3.73 110.613 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -114.18 138.36 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 4.63 110.994 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.88 135.89 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 3.58 110.726 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.9 -167.63 20.94 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.936 -0.65 . . . . 3.15 111.838 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.0 m 55.95 53.97 8.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.073 0.463 . . . . 4.35 110.392 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.28 117.26 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 4.28 111.518 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 36.8 ttmt -102.25 136.6 19.39 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.155 -0.475 . . . . 5.57 110.648 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.35 -29.98 7.14 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.507 2.138 . . . . 3.3 112.54 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.21 2.8 68.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 2.71 112.834 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 45.4 tp -68.32 -12.49 61.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 4.34 110.695 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.33 -21.58 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 4.04 110.689 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -50.43 -47.13 56.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 5.16 111.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 162' ' ' VAL . 11.8 p -84.45 -22.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.311 -0.404 . . . . 3.48 111.237 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.89 -32.06 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 3.6 111.131 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -73.67 -49.24 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 3.01 110.896 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 159' ' ' VAL . 12.1 p -66.39 -24.3 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 3.02 110.903 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.73 -39.14 93.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 2.72 111.219 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.59 -12.46 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 2.42 110.873 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.9 m -83.19 -34.18 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 2.22 111.139 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.413 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -104.31 51.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.891 0.377 . . . . 3.02 110.84 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 168' ' ' THR . 9.4 ptpp? -50.4 -41.67 52.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.142 -0.481 . . . . 4.14 110.772 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 p -111.3 144.73 40.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 2.82 110.616 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -66.56 146.07 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 3.97 111.107 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.68 -25.36 15.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.838 -0.696 . . . . 2.38 112.446 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.03 176.89 9.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 3.72 111.073 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 36.5 t -135.81 172.93 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.818 -0.628 . . . . 2.54 110.984 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.09 142.57 18.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 2.36 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -92.5 134.04 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 3.74 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -156.16 107.39 2.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 5.29 110.611 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.9 t -128.67 -178.66 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 5.01 111.079 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 64.34 57.19 1.21 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.023 0.44 . . . . 7.01 111.219 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -87.12 139.67 30.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.459 . . . . 5.44 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.69 112.44 34.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 3.92 111.229 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.25 -7.86 13.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.556 2.171 . . . . 5.03 112.549 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -66.28 -30.08 70.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.383 -0.372 . . . . 9.4 110.976 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -74.72 2.35 48.98 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.686 -0.769 . . . . 3.43 112.575 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 95.1 mt -111.98 19.1 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.681 0.277 . . . . 6.25 110.99 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 2.5 pt? -55.85 145.83 50.68 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 5.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 15.6 Cg_exo -68.58 126.89 14.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.593 2.195 . . . . 4.45 112.41 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.83 -45.7 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 6.38 110.746 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.8 m -151.82 159.43 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 5.39 110.781 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 74.4 mt -93.85 59.06 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 4.68 110.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -147.95 168.47 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 3.78 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -139.94 -179.94 6.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 3.57 110.778 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.636 ' HA ' ' HB2' ' A' ' 257' ' ' ALA . 8.3 t-105 -145.07 111.49 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 4.84 110.251 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.8 t -114.79 153.63 30.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 2.03 111.185 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -160.34 87.08 1.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 3.02 110.923 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.654 ' HA ' HG22 ' A' ' 207' ' ' THR . 36.4 Cg_endo -65.57 127.72 18.62 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.192 1.928 . . . . 1.7 111.981 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.77 -166.78 15.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 1.85 112.715 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.33 -0.283 0 CA-C-O 120.676 0.274 . . . . 2.97 110.874 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.827 0.346 . . . . 5.45 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.58 14.49 29.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 3.98 110.82 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 6.23 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 3.13 110.541 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 142' ' ' VAL . 16.2 t -125.05 121.45 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 2.42 111.031 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.654 HG22 ' HA ' ' A' ' 194' ' ' PRO . 30.9 m -113.04 146.49 39.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 1.8 110.963 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.83 108.65 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 3.11 111.124 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -115.39 146.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 2.13 110.692 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 21.6 t -122.32 137.07 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.73 111.11 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 145' ' ' ILE . 63.4 mt -64.86 167.61 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 4.37 110.938 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 185' ' ' PRO . 63.5 pttt -68.59 -28.99 67.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 6.2 111.268 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.27 90.79 50.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 5.91 111.124 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.04 127.45 16.02 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.389 2.06 . . . . 4.22 112.132 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 19.2 tt -82.31 151.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 4.88 111.178 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 77.9 p -131.34 165.84 22.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 3.8 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.43 ' HB ' HE21 ' A' ' 221' ' ' GLN . 29.9 m -114.32 147.5 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 3.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.594 ' HG ' ' H ' ' A' ' 153' ' ' LYS . 51.7 m -92.73 150.59 20.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 3.66 110.806 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.476 ' HA ' HG22 ' A' ' 222' ' ' VAL . 39.7 t -70.83 -13.25 61.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 3.12 110.967 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.13 -35.61 41.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 4.51 111.479 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . 0.43 HE21 ' HB ' ' A' ' 217' ' ' VAL . 7.7 pt20 -80.22 -36.85 34.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.7 0.286 . . . . 4.63 111.197 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 219' ' ' SER . 18.1 m -76.84 -6.5 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.39 . . . . 2.92 110.732 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.92 -35.51 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 3.21 110.209 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -75.48 -24.93 56.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.833 -0.621 . . . . 4.23 110.739 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -63.39 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 4.01 110.74 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.37 -33.91 74.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 5.4 110.667 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -75.3 -23.91 57.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 3.8 110.69 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 86.5 mt -88.03 162.13 16.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.025 -0.534 . . . . 3.46 110.821 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.11 145.96 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 3.16 110.598 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -73.2 3.1 6.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 6.2 111.177 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 4.89 110.608 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.85 0.357 . . . . 5.59 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.55 ' HG3' HG12 ' A' ' 241' ' ' VAL . 25.6 ptt? -54.1 -30.98 50.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.876 -0.602 . . . . 5.6 111.192 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . 0.55 HG12 ' HG3' ' A' ' 240' ' ' MET . 8.2 p -158.84 149.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 3.98 110.988 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -149.08 26.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 3.67 110.364 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -129.53 34.34 4.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 4.18 111.171 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -97.1 132.75 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 3.85 110.896 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -141.11 150.9 60.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 4.15 111.117 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.16 136.51 20.18 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.582 2.188 . . . . 2.75 112.362 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -93.63 164.76 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 3.18 111.527 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -129.53 99.42 20.97 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 5.96 110.241 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.14 123.84 11.78 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.318 2.012 . . . . 4.47 112.591 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.03 -40.29 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 4.44 110.635 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.6 29.26 13.13 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.612 -0.722 . . . . 7.2 111.177 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -127.52 -56.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 5.62 111.126 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -74.47 143.94 44.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 6.22 111.172 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.47 168.6 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 3.56 110.891 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.4 mp -105.53 111.51 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 2.59 110.838 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.95 103.01 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 3.38 110.795 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.636 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -125.44 168.34 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.68 111.006 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.6 t -78.37 -13.48 59.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 2.4 110.194 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -111.73 154.52 24.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.83 110.575 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.902 . . . . 4.92 111.21 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.453 0.168 . . . . 3.85 111.29 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . 34.8 Cg_endo -66.06 128.17 19.1 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.527 2.151 . . . . 3.29 112.49 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 32' ' ' ASP . 21.7 t -127.07 166.18 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.03 -0.532 . . . . 2.72 110.26 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' N ' HG12 ' A' ' 31' ' ' VAL . 13.1 t70 -88.8 98.46 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.885 0.374 . . . . 2.44 110.5 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 3.4 mp -81.5 137.63 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 1.95 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.04 129.31 55.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 1.53 111.051 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -80.16 -34.59 37.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.847 -0.615 . . . . 2.28 110.807 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -64.46 -39.86 94.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 4.16 110.736 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.2 p -81.46 -21.59 38.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 2.26 110.869 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.02 152.76 31.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.513 . . . . 1.59 111.089 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -132.89 128.71 37.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.398 -0.365 . . . . 4.1 110.799 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 41.4 p90 -94.55 134.74 36.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 4.34 110.983 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.49 ' H ' ' HA ' ' A' ' 258' ' ' SER . 3.3 p30 -130.19 127.42 22.58 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.243 -0.435 . . . . 3.04 110.972 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.09 32.74 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.445 2.096 . . . . 2.51 112.55 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -66.62 -17.83 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 3.54 111.233 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.572 HD12 ' HA3' ' A' ' 81' ' ' GLY . 52.2 tp -132.35 124.59 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 3.49 111.053 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -108.74 138.91 20.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 4.66 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.75 125.45 17.26 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.219 1.946 . . . . 2.89 111.743 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -103.5 -66.39 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 5.61 110.695 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.8 m -135.72 109.83 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 3.01 110.768 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 79' ' ' LEU . 45.7 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 2.88 111.363 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -113.53 149.02 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 2.94 110.467 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -175.06 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 5.23 111.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.86 -25.55 63.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 4.17 110.429 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.55 -15.66 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 5.15 110.841 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . . . -53.53 125.27 17.48 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.268 -0.424 . . . . 2.19 110.873 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 m -125.59 143.3 51.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 2.31 111.468 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.4 t -96.41 153.9 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 2.24 110.501 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 71' ' ' ASP . 57.9 mt -92.04 -38.78 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 4.0 111.138 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.564 HH21 ' HB3' ' A' ' 172' ' ' SER . 11.1 ptm180 -179.49 162.12 1.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.213 -0.449 . . . . 5.17 111.075 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.442 HG12 HG12 ' A' ' 68' ' ' VAL . 50.3 mt -122.57 103.35 13.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 2.2 110.386 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 61' ' ' ASN . 3.3 tm? -113.71 133.87 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 3.06 110.765 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' HD11 ' A' ' 60' ' ' LEU . 2.2 m-20 -107.8 155.13 20.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 2.16 110.722 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 3.54 110.895 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.24 -4.22 64.65 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.683 -0.77 . . . . 2.67 112.03 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -139.47 -68.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 5.03 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.79 154.56 34.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 2.49 111.071 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -164.65 145.12 7.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 3.96 110.47 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 94' ' ' HIS . 1.1 m120 -81.17 143.37 32.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 3.14 110.671 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 59' ' ' ILE . 3.7 m -76.04 116.78 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 2.51 111.278 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -100.12 147.8 25.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 3.84 111.107 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.55 175.97 5.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 4.98 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' HD23 ' A' ' 57' ' ' LEU . 20.8 t70 -64.38 132.03 48.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 3.04 110.835 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.52 -19.73 15.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 3.88 111.466 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -71.77 -14.74 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 3.52 111.015 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -131.34 -173.34 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 4.49 110.651 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.91 105.68 3.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 2.84 111.065 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 pttm -129.62 28.94 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 3.74 110.958 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 54' ' ' ALA . . . -161.36 118.03 2.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 1.97 110.757 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.71 167.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 2.27 111.336 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 64.2 tp -148.26 124.87 11.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 2.78 111.219 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -157.56 138.94 13.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 3.11 110.823 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.572 ' HA3' HD12 ' A' ' 44' ' ' LEU . . . -91.79 -176.3 42.69 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.912 -0.661 . . . . 2.5 112.689 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.68 -88.86 0.02 OUTLIER Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.021 -0.609 . . . . 2.96 113.009 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.81 -14.94 29.5 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.572 2.182 . . . . 4.5 112.586 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD12 ' HA3' ' A' ' 81' ' ' GLY . 75.1 mt -71.8 132.6 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 3.36 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.4 65.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 5.04 110.513 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.65 92.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.969 -0.634 . . . . 2.03 112.161 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -61.73 141.56 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 2.23 111.55 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.539 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 77.3 m-85 -112.03 117.3 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 3.57 110.635 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -88.7 138.55 31.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 4.36 111.046 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.513 HD22 HD12 ' A' ' 120' ' ' LEU . 6.6 mp -85.34 131.5 34.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 3.01 110.571 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.2 mp -103.18 -68.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.469 -0.332 . . . . 2.89 111.216 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.453 ' HG2' HG21 ' A' ' 91' ' ' ILE . 9.6 pt20 -159.39 161.8 35.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 3.0 111.187 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.413 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 36.1 p90 -142.73 163.16 33.56 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.843 0.354 . . . . 1.76 110.833 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.564 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.6 p-80 -130.51 168.2 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 1.36 110.805 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -128.9 143.12 50.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.9 111.587 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -96.68 170.79 8.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.948 -0.569 . . . . 2.17 110.22 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.438 ' H ' ' ND2' ' A' ' 243' ' ' ASN . 79.5 m95 -148.74 106.28 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.655 -0.248 . . . . 6.63 110.96 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.94 161.39 3.86 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.897 -0.668 . . . . 3.04 112.718 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.1 t -77.17 -28.29 54.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 4.64 111.017 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' GLN . 52.1 tp -89.47 153.35 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 5.7 110.757 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.73 39.74 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 5.38 111.009 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.84 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 4.71 112.538 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.2 pt20 -164.58 162.4 21.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 5.24 111.064 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.0 62.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.74 -0.743 . . . . 2.08 112.722 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.48 ' HG ' ' HG3' ' A' ' 117' ' ' GLU . 29.0 t -101.02 177.28 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.697 0.284 . . . . 2.22 110.722 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 43.0 mt-10 -80.97 -73.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 2.64 110.986 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -66.7 172.66 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 2.79 110.827 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.6 m -153.17 98.36 2.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.198 -0.455 . . . . 2.38 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 21.3 m -95.64 145.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 2.7 111.331 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.9 t70 53.17 32.77 13.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 2.18 110.937 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 24.94 10.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 3.86 111.391 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -121.2 117.93 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 4.34 110.853 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -89.11 147.77 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.01 110.693 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.408 ' HE2' HG21 ' A' ' 109' ' ' VAL . 70.7 m-85 -112.68 174.31 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 2.48 110.908 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -72.75 -43.15 63.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 2.1 110.76 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -167.43 177.89 5.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.568 . . . . 1.99 110.743 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 49.4 mt-10 -150.04 136.6 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 2.4 110.902 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 147' ' ' LEU . 3.6 pp -86.55 147.87 25.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.08 -0.341 . . . . 2.52 110.08 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.564 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 12.5 m170 -120.3 113.58 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 1.93 111.411 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.513 HD12 HD22 ' A' ' 90' ' ' LEU . 7.0 tt -104.3 131.78 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 2.98 110.764 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 t -113.88 123.87 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 2.44 111.284 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.539 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 8.4 p80 -131.79 109.55 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 3.2 110.899 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -90.84 142.83 27.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.339 -0.391 . . . . 4.68 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.543 HD21 ' N ' ' A' ' 125' ' ' THR . 0.2 OUTLIER -62.18 128.58 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 2.56 110.495 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.543 ' N ' HD21 ' A' ' 124' ' ' ASN . 31.8 p -68.97 -14.7 63.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.606 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HG3' ' ND2' ' A' ' 124' ' ' ASN . 54.2 mtpt -66.66 -27.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 4.02 110.801 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -96.84 -12.02 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 4.5 110.849 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.48 -60.19 4.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.744 . . . . 2.38 112.556 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -136.36 163.28 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 3.07 110.995 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.413 ' O ' HG12 ' A' ' 134' ' ' VAL . 30.8 p90 -61.44 -19.4 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 3.61 111.15 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.42 -46.91 93.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.613 -0.804 . . . . 2.51 112.607 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -89.78 -17.45 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 4.04 111.0 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.443 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -74.1 -41.62 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 2.12 111.35 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 130' ' ' PHE . 22.0 m -61.52 -11.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 2.79 111.699 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.18 -26.7 62.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 4.15 110.607 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -112.96 151.07 43.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 3.37 110.733 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.48 -31.27 61.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.525 2.15 . . . . 2.89 112.05 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -107.66 10.34 29.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.64 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -55.63 -42.36 84.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.878 -0.677 . . . . 1.75 112.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.5 pt? -140.23 146.68 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 2.23 111.176 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 156.68 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 1.5 110.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.39 116.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 1.88 111.915 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.409 ' HB2' ' HE2' ' A' ' 122' ' ' HIS . 63.8 tp -85.64 140.02 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 2.67 110.343 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.49 135.49 8.08 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.513 -0.851 . . . . 1.4 112.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.5 mt -126.7 142.41 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 2.06 110.61 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 72.9 m-85 -81.9 160.05 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 5.19 111.195 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 118' ' ' LEU . 79.4 mt -141.36 96.69 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.007 -0.542 . . . . 3.73 110.84 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -115.14 150.1 36.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 4.63 110.989 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.16 152.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 3.58 110.981 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.88 -176.85 18.18 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.639 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m 66.03 138.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.021 0.438 . . . . 4.35 111.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.65 166.47 21.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 4.28 111.148 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -108.15 138.77 20.22 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.462 . . . . 5.57 110.656 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.65 0.24 1.59 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.666 2.244 . . . . 3.3 112.764 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.31 34.14 4.31 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.589 -0.815 . . . . 2.71 113.086 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 159' ' ' VAL . 4.0 mm? -106.51 21.62 17.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 4.34 110.48 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.11 -43.05 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 4.04 111.495 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -61.16 -36.41 79.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 5.16 111.229 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 156' ' ' LEU . 84.3 t -63.12 -43.68 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 3.48 111.459 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.78 -13.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.467 -0.333 . . . . 3.6 111.6 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -55.24 -19.41 8.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.953 0.406 . . . . 3.01 111.173 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 176' ' ' THR . 11.2 p -56.35 -17.91 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 3.02 111.974 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -60.8 -26.68 67.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 2.72 111.404 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.69 -12.23 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 2.42 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.4 t -77.37 -27.56 52.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 2.22 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 171' ' ' LYS . 3.1 mp -101.7 51.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 3.02 111.362 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -54.53 -48.3 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 4.14 110.253 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.0 p -100.43 154.65 18.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.821 -0.627 . . . . 2.82 110.613 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 239' ' ' LEU . 11.7 mptt -79.72 143.2 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 3.97 110.69 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 6.82 23.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 2.38 112.681 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . 0.452 ' HB3' HG22 ' A' ' 166' ' ' ILE . 17.7 tppt? -108.77 152.21 25.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 3.72 110.628 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' SER . . . . . 0.564 ' HB3' HH21 ' A' ' 58' ' ' ARG . 88.5 p -96.86 146.0 25.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 2.54 110.81 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -98.24 144.16 27.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 2.36 111.617 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.76 158.22 22.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.589 . . . . 3.74 110.989 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -47.66 105.04 0.06 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.099 -0.5 . . . . 5.29 110.896 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.532 HG22 HG13 ' A' ' 162' ' ' VAL . 51.6 p -144.52 -172.63 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 5.01 111.398 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 59.6 t30 57.92 57.02 4.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.773 -0.648 . . . . 7.01 111.314 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -105.25 128.47 53.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 5.44 110.817 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.66 77.33 47.41 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 3.92 111.098 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.73 -8.23 22.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 5.03 112.216 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -82.93 -6.77 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 9.4 111.088 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -79.6 62.91 4.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.759 -0.734 . . . . 3.43 112.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 6.6 mp -86.37 12.43 10.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 6.25 110.623 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -52.67 147.77 14.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 5.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.46 133.22 14.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.526 2.151 . . . . 4.45 112.512 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.18 -11.21 59.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 6.38 111.059 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 65.0 p -71.21 94.8 1.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.455 . . . . 5.39 110.98 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.603 ' HG ' ' H ' ' A' ' 189' ' ' ASP . 7.3 tp -165.56 -161.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 4.68 110.482 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.603 ' H ' ' HG ' ' A' ' 188' ' ' LEU . 11.1 m-20 -111.42 -179.1 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 3.78 110.847 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 258' ' ' SER . 27.6 p90 -169.85 149.98 3.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.353 -0.385 . . . . 3.57 110.707 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 21.8 m95 -72.51 144.77 47.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 4.84 110.788 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' THR . . . . . 0.5 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 4.8 t -152.41 129.79 11.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.455 -0.338 . . . . 2.03 111.411 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -156.51 127.67 3.66 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.333 -0.394 . . . . 3.02 110.841 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.35 133.75 16.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.376 2.051 . . . . 1.7 112.355 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -108.48 165.8 12.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 1.85 112.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 110.382 -0.229 . . . . 2.97 110.382 179.813 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.614 0.245 . . . . 5.45 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.51 44.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 3.98 111.221 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -98.48 12.36 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.061 0.458 . . . . 3.13 110.155 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.35 133.92 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.568 -0.742 . . . . 2.42 111.128 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 27.0 m -113.15 141.57 46.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 1.8 110.603 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -102.62 108.27 19.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 3.11 110.549 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 209' ' ' ILE . 4.4 mp -112.18 150.11 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.13 110.82 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 94.1 t -127.69 122.14 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 2.73 110.867 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.586 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 40.9 tp -56.64 143.53 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 4.37 110.721 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.678 ' HD2' ' H ' ' A' ' 212' ' ' LYS . 0.0 OUTLIER -62.77 -21.73 66.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 6.2 111.25 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.586 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 36.8 tt0 -133.78 84.35 44.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 5.91 110.804 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.24 134.34 63.62 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.556 2.171 . . . . 4.22 112.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.1 mt -74.74 147.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.5 . . . . 4.88 110.89 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 84.3 p -134.26 144.51 48.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.976 0.417 . . . . 3.8 111.245 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 218' ' ' SER . 13.5 p -101.67 159.78 4.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 3.0 110.295 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' SER . . . . . 0.407 ' N ' HG21 ' A' ' 217' ' ' VAL . 70.4 m -103.99 150.55 24.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 3.66 111.051 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 79.7 p -60.51 -18.0 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 3.12 110.833 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.0 -22.71 27.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 4.51 110.753 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -77.43 -28.68 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 4.63 111.094 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.24 -20.43 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 2.92 111.149 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 219' ' ' SER . 94.3 mt -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 3.21 110.807 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.28 -14.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 4.23 110.951 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -77.02 -22.38 53.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 4.01 110.551 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -70.31 -5.79 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 5.4 111.219 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -69.06 -25.92 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 3.8 110.927 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.04 162.22 29.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 3.46 110.845 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . 0.45 ' H ' ' NZ ' ' A' ' 169' ' ' LYS . 58.5 m-20 -111.4 145.94 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 3.16 111.268 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.439 ' HB2' ' HG3' ' A' ' 240' ' ' MET . 34.6 p90 -96.63 -15.16 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.085 -0.507 . . . . 6.2 110.914 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.463 0.178 0 CA-C-N 115.914 -0.585 . . . . 4.89 110.601 -179.713 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . 0.459 ' HB3' ' HE2' ' A' ' 169' ' ' LYS . 55.9 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 5.59 111.447 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.439 ' HG3' ' HB2' ' A' ' 230' ' ' PHE . 58.5 ttp -100.15 147.05 26.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 5.6 110.336 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.55 126.61 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 3.98 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -173.5 37.31 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.392 -0.367 . . . . 3.67 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 97' ' ' TRP . 36.0 m-80 -83.87 55.76 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 4.18 110.966 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -106.56 134.24 50.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.545 . . . . 3.85 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -140.73 153.86 68.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 4.15 110.843 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.42 173.11 4.59 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.553 2.169 . . . . 2.75 112.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -161.45 43.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 3.18 110.786 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 125.58 80.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 5.96 110.817 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.29 128.01 15.81 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.392 2.062 . . . . 4.47 112.41 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.12 -35.5 42.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 4.44 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.6 tptm 63.22 25.89 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.782 -0.645 . . . . 7.2 110.034 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -127.0 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 5.62 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -71.12 156.39 39.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 6.22 111.334 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 162.95 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.564 . . . . 3.56 110.764 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.412 HG22 HG21 ' A' ' 33' ' ' ILE . 6.1 tp -116.09 126.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 2.59 110.946 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -96.7 151.15 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 3.38 110.929 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.5 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.72 172.48 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 1.68 111.23 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 258' ' ' SER . . . . . 0.49 ' HA ' ' H ' ' A' ' 41' ' ' ASP . 48.4 t -115.02 -13.69 11.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 2.4 110.634 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.433 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 92.7 t80 -111.71 147.42 35.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 3.83 110.592 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.212 -0.899 . . . . 4.92 110.926 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 48.8 m . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.53 0.205 . . . . 3.85 111.259 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 16.2 Cg_exo -69.02 136.33 34.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.814 2.342 . . . . 3.29 112.45 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.5 p -131.18 175.5 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.496 . . . . 2.72 110.76 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.569 ' H ' HG22 ' A' ' 31' ' ' VAL . 21.2 t70 -86.39 98.58 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.44 110.332 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 HG22 HG12 ' A' ' 255' ' ' ILE . 2.4 mp -73.5 134.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 1.95 111.265 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB2' HG21 ' A' ' 37' ' ' THR . 3.7 m-20 -112.77 129.01 56.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 1.53 110.787 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 m -73.44 -17.39 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 2.28 110.502 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.33 -38.42 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 4.16 111.247 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 34' ' ' ASP . 9.8 t -75.72 -22.38 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.36 . . . . 2.26 111.156 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.95 147.69 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 1.59 110.751 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -105.48 151.23 24.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.951 0.405 . . . . 4.1 111.398 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.523 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 91.9 t80 -87.86 112.22 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.819 -0.628 . . . . 4.34 110.538 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -111.06 99.05 41.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.446 -0.343 . . . . 3.04 111.16 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.75 3.83 7.43 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.449 2.1 . . . . 2.51 112.382 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -69.93 -45.62 67.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 3.54 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.553 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 80.4 mt -70.83 157.9 37.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 3.49 110.801 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -106.79 155.93 38.15 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 4.66 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.25 125.88 11.0 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.486 2.124 . . . . 2.89 112.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.75 85.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 5.61 110.939 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.6 m -72.6 109.56 6.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 3.01 110.316 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.19 124.58 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 2.88 111.461 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.6 m -93.69 144.92 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 2.94 110.239 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -168.85 40.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 5.23 111.157 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.16 -28.41 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 4.17 110.218 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -109.83 5.55 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 5.15 110.816 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . . . -58.36 120.89 9.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 2.19 110.858 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.559 HG21 ' H ' ' A' ' 178' ' ' PHE . 57.6 m -157.34 142.63 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 2.31 111.043 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.8 p -91.4 156.44 17.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.24 110.596 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 46.6 tp -104.66 -39.09 6.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 4.0 111.254 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -175.95 139.09 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.394 -0.366 . . . . 5.17 111.23 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 tt -121.65 103.54 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.171 0.51 . . . . 2.2 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.64 175.88 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 3.06 111.321 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.437 HD21 ' HG3' ' A' ' 169' ' ' LYS . 2.9 m-20 -116.36 158.67 23.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.818 -0.628 . . . . 2.16 110.455 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -106.37 23.77 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.54 111.415 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.07 14.43 82.25 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.279 -0.963 . . . . 2.67 111.976 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -167.61 -53.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 5.03 110.76 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.09 145.72 48.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 2.49 110.733 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -120.82 136.45 54.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 3.96 111.695 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 17.0 m120 -133.39 153.21 51.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.841 -0.618 . . . . 3.14 110.43 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 93' ' ' PHE . 2.3 t -89.48 124.54 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.599 -0.273 . . . . 2.51 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -104.84 132.27 51.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 3.84 110.954 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -103.63 164.65 11.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 4.98 110.829 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.554 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 13.8 t70 -90.04 150.66 22.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.378 -0.374 . . . . 3.04 110.83 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.87 31.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 3.88 111.249 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 t -74.52 -45.01 48.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 3.52 110.94 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -147.97 -169.84 3.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 4.49 110.756 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.18 -21.2 58.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 2.84 110.407 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 71' ' ' ASP . 1.8 mptm? 61.05 -84.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 3.74 111.484 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . . . -135.38 134.03 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 1.97 111.371 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.91 158.44 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 2.27 110.944 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 10.0 mp -113.46 120.74 42.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.412 -0.358 . . . . 2.78 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.449 ' NZ ' HD13 ' A' ' 84' ' ' LEU . 32.4 mmmt -127.33 163.53 23.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.287 -0.415 . . . . 3.11 110.774 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.31 176.3 28.83 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.701 -0.761 . . . . 2.5 112.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.553 ' HA2' ' HB3' ' A' ' 44' ' ' LEU . . . 54.0 -151.36 12.59 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.739 -0.743 . . . . 2.96 112.069 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.462 ' HD3' HD12 ' A' ' 44' ' ' LEU . 36.1 Cg_exo -58.06 87.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.228 1.952 . . . . 4.5 111.373 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD13 ' NZ ' ' A' ' 80' ' ' LYS . 23.2 tp -66.04 131.47 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 3.36 111.756 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -158.49 36.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.91 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.41 126.61 5.88 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.862 -0.685 . . . . 2.03 111.969 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 t -49.13 125.66 11.14 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 2.23 111.314 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 85.7 m-85 -87.18 124.44 33.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.066 -0.515 . . . . 3.57 111.419 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -103.42 149.63 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 4.36 110.569 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.5 tp -87.29 136.0 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 3.01 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -112.92 -63.87 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.347 -0.388 . . . . 2.89 110.983 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.464 ' HB2' ' HB3' ' A' ' 67' ' ' ASN . 4.1 pt20 -159.24 154.55 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 3.0 110.756 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 68' ' ' VAL . 35.0 p90 -150.17 168.05 25.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.742 0.306 . . . . 1.76 111.039 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 22.8 p-80 -137.27 168.25 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.36 110.445 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.462 ' HA ' HD21 ' A' ' 118' ' ' LEU . 37.7 m-85 -111.26 160.34 17.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.056 0.455 . . . . 3.9 112.102 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.553 ' HD1' HD21 ' A' ' 243' ' ' ASN . 30.2 m-70 -127.38 170.97 11.95 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.742 -0.663 . . . . 2.17 110.323 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.452 ' HE1' HG12 ' A' ' 222' ' ' VAL . 38.6 t90 -173.06 100.47 0.13 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.791 0.329 . . . . 6.63 110.936 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.34 169.7 2.81 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.882 -0.675 . . . . 3.04 112.484 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.8 m -68.27 -31.29 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.292 . . . . 4.64 111.199 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.24 133.25 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 5.7 110.594 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.88 30.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 5.38 110.801 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.85 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.882 -0.675 . . . . 4.71 112.351 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -145.63 133.92 21.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.904 0.383 . . . . 5.24 111.099 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.24 58.49 0.03 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.761 -0.733 . . . . 2.08 112.709 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -100.88 -174.43 2.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 2.22 110.851 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' HG3' ' HB2' ' A' ' 245' ' ' ARG . 36.3 tt0 -84.83 -80.76 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 2.64 110.725 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -86.71 168.73 13.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 2.79 110.4 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.421 HG21 ' HA ' ' A' ' 113' ' ' LYS . 66.2 p -138.7 122.01 17.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 2.38 111.151 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.9 m -104.37 151.51 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 2.7 110.8 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 54.69 32.76 17.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.18 110.424 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 58.58 25.12 12.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 3.86 111.186 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -121.99 144.39 48.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 4.34 110.809 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HA ' HG21 ' A' ' 108' ' ' THR . 25.1 ttmm -109.44 151.28 26.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 3.01 110.955 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.38 169.46 8.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.27 -0.423 . . . . 2.48 110.721 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.72 -50.01 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.689 0.28 . . . . 2.1 111.35 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.84 -177.6 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 1.99 111.068 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -152.19 120.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 2.4 110.609 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 95' ' ' PHE . 39.4 mt -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 2.52 111.132 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.2 m170 -105.8 104.16 13.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 1.93 111.152 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 120' ' ' LEU . 6.6 mp -113.8 110.81 20.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 2.98 110.67 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.04 147.44 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 2.44 111.297 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 143' ' ' LEU . 72.4 m-70 -131.69 120.17 22.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 3.2 110.817 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.54 ' HB2' HG12 ' A' ' 91' ' ' ILE . 10.1 m95 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 4.68 110.987 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 124' ' ' ASN . 0.1 OUTLIER -57.06 129.76 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 2.56 110.754 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.0 t -63.0 -14.72 51.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.989 0.423 . . . . 2.19 111.297 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.607 ' HZ3' ' HB2' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -58.31 -13.96 6.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.655 -0.702 . . . . 4.02 111.361 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 0.5 OUTLIER -77.17 -29.75 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 4.5 111.457 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.24 -65.51 2.69 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.539 -0.839 . . . . 2.38 112.167 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.32 163.23 31.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 3.07 110.895 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -55.18 -43.7 74.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.369 . . . . 3.61 111.392 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.64 -27.4 27.07 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.981 -0.628 . . . . 2.51 112.931 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 75.9 mmtt -89.52 -32.18 17.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.763 0.316 . . . . 4.04 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 2.12 110.539 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.82 -22.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 2.79 111.101 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -80.94 -21.0 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 4.15 111.056 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -116.28 96.1 46.78 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.397 -0.365 . . . . 3.37 110.762 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.604 ' HB3' ' HG3' ' A' ' 204' ' ' GLU . 31.8 Cg_exo -58.29 -44.94 34.19 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.493 2.129 . . . . 2.89 112.584 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.44 15.55 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.408 . . . . 2.64 111.198 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.35 12.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.721 . . . . 1.75 112.507 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.524 ' N ' HD21 ' A' ' 140' ' ' LEU . 2.3 mm? -110.4 122.51 47.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 2.23 110.72 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.33 123.29 41.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.384 . . . . 1.5 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 207' ' ' THR . 40.2 t -90.53 117.87 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.88 111.064 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.409 ' HB3' ' HE2' ' A' ' 122' ' ' HIS . 55.3 tp -85.93 132.46 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 2.67 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -112.4 135.46 12.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 1.4 112.692 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.39 104.27 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 2.06 110.894 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.402 ' O ' HD21 ' A' ' 147' ' ' LEU . 85.5 m-85 -70.42 153.17 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 5.19 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 146' ' ' PHE . 68.6 mt -128.52 135.75 49.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 3.73 110.752 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -138.72 143.21 38.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 4.63 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.38 130.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.399 . . . . 3.58 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 142.34 160.25 8.27 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.72 . . . . 3.15 112.072 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.9 t 58.93 77.31 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 4.35 110.543 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.69 161.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 4.28 111.462 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.42 ' HZ2' ' HB2' ' A' ' 157' ' ' GLN . 19.7 pttp -66.3 146.73 99.05 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.435 . . . . 5.57 110.733 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.6 19.62 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.522 2.148 . . . . 3.3 112.372 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.83 54.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.872 -0.68 . . . . 2.71 112.337 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.06 28.4 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 4.34 110.486 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.42 ' HB2' ' HZ2' ' A' ' 153' ' ' LYS . 53.0 tt0 -52.5 -43.23 64.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.681 . . . . 4.04 111.47 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 5.16 111.083 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.46 -29.96 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 3.48 110.759 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.36 -22.19 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 3.6 110.926 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -80.35 -19.61 46.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 3.01 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 40.1 t -56.65 -30.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 3.02 111.124 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -32.47 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 2.72 111.111 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.23 -14.26 4.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 2.42 110.734 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -84.58 -31.09 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.075 -0.511 . . . . 2.22 111.03 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.461 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -133.77 45.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.016 0.436 . . . . 3.02 111.048 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.522 ' HZ2' ' HB2' ' A' ' 227' ' ' LYS . 79.1 tttt -78.55 -45.95 20.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 4.14 111.118 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.3 p -91.33 149.9 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 2.82 111.078 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.5 OUTLIER -80.62 147.28 30.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 3.97 110.988 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.34 -19.91 21.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.938 -0.649 . . . . 2.38 112.435 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -109.33 155.95 20.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 3.72 110.81 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 95.0 p -125.16 164.34 20.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 2.54 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -168.02 135.01 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.331 -0.395 . . . . 2.36 111.063 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.85 137.52 32.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 3.74 110.878 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -146.31 115.35 6.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.371 -0.377 . . . . 5.29 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.2 p -110.78 179.62 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 5.01 110.591 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.65 48.41 18.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 7.01 111.245 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' PHE . . . . . 0.559 ' H ' HG21 ' A' ' 55' ' ' THR . 41.3 t80 -111.56 114.05 26.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 5.44 110.652 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.44 82.86 12.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 3.92 111.225 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.36 -44.37 1.14 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 5.03 112.004 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -87.25 -9.35 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 9.4 110.633 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -55.19 -29.01 51.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.634 -0.793 . . . . 3.43 112.377 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.86 -13.89 15.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 6.25 110.836 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.22 138.81 45.33 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.438 . . . . 5.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.63 146.41 16.88 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.648 2.232 . . . . 4.45 112.439 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.56 -12.01 59.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 6.38 111.428 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.9 t 59.11 -173.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.272 -0.422 . . . . 5.39 110.966 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.77 -92.03 0.49 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 4.68 110.704 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 259' ' ' PHE . 5.7 p-10 -61.33 165.69 4.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.593 -0.276 . . . . 3.78 110.53 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -169.45 171.12 7.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.448 . . . . 3.57 111.25 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.413 ' HE1' ' HD1' ' A' ' 259' ' ' PHE . 2.6 m-90 -131.1 147.68 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 4.84 109.826 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.3 t -143.69 141.24 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 2.03 111.995 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -121.1 87.56 44.02 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.819 -0.628 . . . . 3.02 110.247 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . 0.557 ' HA ' HG23 ' A' ' 207' ' ' THR . 59.0 Cg_exo -50.55 129.5 26.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.575 2.183 . . . . 1.7 112.493 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.6 -156.05 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 1.85 112.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 2.97 110.95 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.071 0.462 . . . . 5.45 111.403 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' GLU . . . . . 0.604 ' HG3' ' HB3' ' A' ' 137' ' ' PRO . 11.6 pt-20 -166.95 43.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.665 -0.698 . . . . 3.98 110.331 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 137' ' ' PRO . 68.0 m -88.64 14.3 10.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 3.13 110.706 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.57 110.78 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 2.42 111.222 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 194' ' ' PRO . 11.4 m -113.11 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.8 110.736 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -109.72 109.93 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 3.11 110.784 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 209' ' ' ILE . 4.1 mp -108.59 145.89 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 2.13 110.678 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.99 136.49 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 2.73 111.059 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.636 ' HG ' ' H ' ' A' ' 212' ' ' LYS . 11.9 tp -76.2 -177.56 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 4.37 110.501 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . 0.636 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 64.3 tttm -61.56 -55.68 28.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.637 0.256 . . . . 6.2 111.09 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -165.84 70.25 1.24 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 5.91 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 211' ' ' LEU . 95.1 Cg_endo -85.7 126.9 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.549 2.166 . . . . 4.22 112.73 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 11.2 pt -154.72 114.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.033 -0.531 . . . . 4.88 110.736 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.3 m -135.36 102.64 5.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 3.8 111.494 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 90.4 t -146.07 136.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 3.0 110.879 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 33.4 t -116.95 177.02 4.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.35 . . . . 3.66 110.894 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 37.4 t -80.35 -46.91 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 3.12 110.603 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.74 -18.53 58.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 4.51 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -72.18 -38.38 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 4.63 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.452 HG12 ' HE1' ' A' ' 97' ' ' TRP . 58.7 t -78.58 -27.19 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 2.92 111.233 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.414 HD11 ' HD3' ' A' ' 226' ' ' ARG . 42.3 tp -63.93 -18.55 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 3.21 110.943 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -84.99 -31.57 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 4.23 111.015 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.66 -21.11 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 4.01 111.07 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 226' ' ' ARG . . . . . 0.414 ' HD3' HD11 ' A' ' 223' ' ' LEU . 75.5 mtp180 -68.17 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 5.4 110.72 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 227' ' ' LYS . . . . . 0.522 ' HB2' ' HZ2' ' A' ' 167' ' ' LYS . 85.9 mttt -93.57 -15.14 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 3.8 110.828 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.62 158.45 4.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 3.46 110.986 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -139.23 138.3 36.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 3.16 111.117 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 230' ' ' PHE . . . . . 0.466 ' HA ' ' HG2' ' A' ' 240' ' ' MET . 72.7 t80 -61.22 -38.47 86.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.159 -0.473 . . . . 6.2 110.514 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 4.89 110.81 179.721 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.605 0.24 . . . . 5.59 110.676 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 240' ' ' MET . . . . . 0.466 ' HG2' ' HA ' ' A' ' 230' ' ' PHE . 0.0 OUTLIER -82.71 44.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 5.6 110.523 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.74 -173.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 3.98 111.387 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.93 36.17 7.82 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 3.67 110.681 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 243' ' ' ASN . . . . . 0.553 HD21 ' HD1' ' A' ' 96' ' ' HIS . 19.4 m120 -83.84 48.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 4.18 110.906 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -105.3 142.96 34.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 3.85 110.72 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 245' ' ' ARG . . . . . 0.407 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 40.3 mmt180 -126.57 153.61 75.35 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 4.15 111.252 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.17 154.76 52.13 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.655 2.237 . . . . 2.75 112.622 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.22 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 3.18 110.721 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 54.2 tt0 -57.44 129.88 80.61 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.621 . . . . 5.96 110.987 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 249' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 22.8 Cg_exo -64.53 124.12 12.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.537 2.158 . . . . 4.47 112.224 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 65.2 mt -78.75 -48.93 13.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 4.44 110.707 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -166.2 -65.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 7.2 110.697 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -153.56 -66.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.513 . . . . 5.62 110.717 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 63.6 137.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 6.22 111.532 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -102.6 135.54 44.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.061 -0.518 . . . . 3.56 110.764 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 255' ' ' ILE . . . . . 0.458 HG12 HG22 ' A' ' 33' ' ' ILE . 4.6 mp -102.48 129.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 2.59 111.226 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -88.68 87.16 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 3.38 110.588 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -109.86 167.43 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.68 111.396 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 95.7 p -86.96 -24.94 24.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 2.4 110.454 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 259' ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' ' 189' ' ' ASP . 61.3 t80 -111.82 164.22 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 3.83 110.376 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 260' ' ' LYS . . . . . 0.523 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 68.2 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.189 -0.91 . . . . 4.92 111.266 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.765 0.317 . . . . 33.06 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -63.43 129.49 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 30.18 110.996 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -95.84 104.02 15.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 30.03 110.664 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -63.22 126.47 27.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 27.02 111.007 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -90.15 157.94 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 25.84 110.82 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.82 -18.1 6.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.852 -0.69 . . . . 23.39 112.719 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -124.11 176.95 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 23.38 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.63 64.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.869 -0.681 . . . . 19.99 112.398 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -61.17 -38.89 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 19.51 110.978 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.66 -23.06 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 18.49 110.802 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.22 8.07 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 18.8 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.23 -70.01 1.22 Allowed Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.751 -0.738 . . . . 16.54 112.54 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.73 139.03 61.19 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.516 2.144 . . . . 16.15 112.286 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -147.83 128.41 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 15.32 110.934 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.492 ' H ' ' HB2' ' A' ' 18' ' ' LYS . 45.9 m-70 -129.65 179.9 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 16.15 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.5 m-90 -61.58 -50.64 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.441 . . . . 11.77 110.705 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.26 -38.92 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 13.21 110.791 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HB2' ' H ' ' A' ' 15' ' ' HIS . 47.5 mmtm -72.77 -12.49 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 16.22 111.202 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.89 -52.35 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 12.96 110.789 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -93.32 153.65 41.49 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 10.55 110.529 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.4 33.68 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.507 2.138 . . . . 10.34 112.621 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 mm -78.26 -43.36 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.008 0.432 . . . . 8.43 110.552 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.45 -28.65 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 9.55 110.69 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -72.9 -17.13 61.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 13.54 110.715 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.26 71.53 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 8.88 112.487 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -83.43 111.2 18.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 8.92 111.008 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -119.05 16.65 13.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.269 0.557 . . . . 10.3 110.201 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' HG3' ' HA ' ' A' ' 198' ' ' THR . 43.6 tt0 -62.66 94.29 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.719 -0.673 . . . . 6.98 110.777 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 m -159.08 96.37 1.7 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.411 -0.358 . . . . 3.85 111.005 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 30.0 Cg_endo -63.91 125.05 14.58 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 3.29 112.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 249' ' ' PRO . 10.8 p -147.22 148.37 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 2.72 111.178 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.13 138.04 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 2.44 110.7 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.498 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.5 mp -76.67 130.5 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.95 110.736 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 37' ' ' THR . 10.3 m-20 -113.45 124.91 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 1.53 111.309 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -80.37 -32.06 37.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.83 -0.623 . . . . 2.28 111.371 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -63.95 -37.85 88.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 4.16 111.569 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -87.37 -15.98 36.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 2.26 111.495 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.74 156.65 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 1.59 111.076 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -134.22 136.46 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 4.1 110.855 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -69.91 128.34 36.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 4.34 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.11 91.13 40.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 3.04 111.092 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.48 29.29 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.176 . . . . 2.51 112.525 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -77.27 -30.49 54.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.869 0.366 . . . . 3.54 110.898 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.23 160.65 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 3.49 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.48 114.92 63.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 4.66 110.78 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.77 125.78 17.43 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.263 1.975 . . . . 2.89 112.181 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -138.31 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 5.61 110.785 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.5 p -108.19 128.97 55.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 3.01 110.88 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.46 154.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 2.88 110.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -110.79 151.24 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 2.94 110.876 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -173.95 37.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 5.23 111.365 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.5 -29.09 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 4.17 110.727 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' HB2' ' HA ' ' A' ' 76' ' ' LYS . 12.1 mm100 -92.74 -11.42 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.563 . . . . 5.15 111.359 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.68 120.44 5.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.19 111.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -156.65 145.55 20.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 2.31 111.374 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -93.46 164.13 13.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 2.24 110.714 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.62 -39.27 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 4.0 111.257 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.527 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.7 ptt180 -168.53 169.74 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 5.17 111.113 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.56 121.26 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 2.2 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -112.4 139.66 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 3.06 110.813 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.8 m-20 -100.8 155.63 17.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.247 -0.433 . . . . 2.16 111.125 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -106.74 19.55 20.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 3.54 111.172 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 82.5 14.07 76.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.435 -0.888 . . . . 2.67 112.253 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -175.03 -49.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 5.03 110.603 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.83 137.68 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 2.49 110.467 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.481 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 55.4 p90 -126.04 155.49 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 3.96 111.612 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 94' ' ' HIS . 3.1 m-80 -129.27 151.49 49.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.629 -0.714 . . . . 3.14 109.976 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.4 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 17.7 m -85.85 129.65 37.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.704 0.288 . . . . 2.51 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.45 150.02 21.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 3.84 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -129.6 160.9 31.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 4.98 110.792 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.89 95.55 9.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.398 -0.365 . . . . 3.04 110.949 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 27.1 t70 -76.04 -1.26 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 3.88 110.94 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.3 p -70.82 -0.19 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 3.52 111.193 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -144.6 177.82 8.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.323 -0.398 . . . . 4.49 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -88.74 77.99 7.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.206 -0.452 . . . . 2.84 111.196 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 41.5 mtmt -64.29 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 3.74 111.335 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -138.75 141.71 38.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 1.97 111.065 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.88 144.87 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 2.27 111.021 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.64 139.52 48.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 2.78 110.876 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -157.43 147.72 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.995 0.426 . . . . 3.11 110.97 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.17 127.92 1.9 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.973 -0.632 . . . . 2.5 112.035 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.74 -165.56 12.06 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.588 -0.815 . . . . 2.96 112.446 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.97 9.9 3.38 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.756 2.304 . . . . 4.5 112.585 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.31 149.1 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 3.36 110.777 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -105.01 17.31 24.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.357 -0.383 . . . . 5.04 111.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.23 143.87 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 2.03 112.614 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -66.06 156.7 33.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 2.23 111.064 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.502 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 91.1 m-85 -114.49 125.24 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 3.57 111.304 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -103.54 145.66 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 4.36 111.198 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.54 HD21 ' HB1' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -104.74 143.45 33.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 3.01 110.684 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.504 HG12 ' N ' ' A' ' 92' ' ' GLN . 0.2 OUTLIER -120.89 -46.04 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.526 0.565 . . . . 2.89 112.526 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.504 ' N ' HG12 ' A' ' 91' ' ' ILE . 26.5 pt20 -157.02 165.84 35.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.894 0.378 . . . . 3.0 111.675 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.4 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 44.7 p90 -156.48 161.78 40.01 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.891 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.414 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 p-80 -139.95 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 1.36 110.311 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.49 ' HB3' HD21 ' A' ' 118' ' ' LEU . 30.5 p90 -121.71 144.24 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 3.9 111.452 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 243' ' ' ASN . 11.0 m80 -94.9 173.84 7.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.984 -0.553 . . . . 2.17 109.939 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.552 ' HB2' ' HA ' ' A' ' 241' ' ' VAL . 10.5 m-90 -126.72 179.97 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.811 0.339 . . . . 6.63 111.126 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.7 158.38 21.8 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.998 -0.62 . . . . 3.04 112.408 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.6 m -84.67 -24.48 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.658 0.266 . . . . 4.64 111.291 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 5.7 111.099 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -87.21 38.12 0.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.042 -0.526 . . . . 5.38 111.105 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.8 -33.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.672 -0.775 . . . . 4.71 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -153.95 169.81 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 5.24 110.779 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.59 55.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.682 -0.77 . . . . 2.08 112.803 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 t -97.01 179.3 4.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.646 0.26 . . . . 2.22 110.58 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.74 -75.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 2.64 110.693 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.61 169.6 9.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.79 110.518 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.5 p -129.87 118.4 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 2.38 110.982 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' A' ' 33' ' ' ILE . 25.5 m -103.0 150.02 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 2.7 111.097 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.4 t70 52.41 39.37 27.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 2.18 110.749 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 55.66 20.8 4.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 3.86 111.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -121.63 150.14 42.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 4.34 110.554 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -120.73 143.8 48.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 3.01 111.083 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.11 176.4 5.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 2.48 110.651 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.94 -44.22 13.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.724 0.297 . . . . 2.1 111.23 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.71 166.78 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.99 110.986 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 8.8 pt-20 -152.26 148.56 27.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.809 0.338 . . . . 2.4 111.315 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 96.2 mt -86.58 148.08 25.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 2.52 110.899 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -122.36 95.35 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 1.93 110.162 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.504 HD22 HD21 ' A' ' 143' ' ' LEU . 54.2 tp -99.15 108.95 21.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.378 . . . . 2.98 111.242 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -92.65 130.51 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 2.44 110.773 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.502 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 9.4 p80 -131.79 153.41 50.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 3.2 110.945 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -133.8 134.54 42.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 4.68 110.652 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -58.1 111.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 2.56 110.704 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 t -71.94 -14.98 62.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 2.19 111.36 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -64.06 -32.02 73.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 4.02 110.632 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -90.83 7.81 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.576 . . . . 4.5 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.88 -76.49 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 2.38 112.404 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.78 168.09 20.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 3.07 110.796 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -56.55 -23.13 38.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 3.61 110.806 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.32 91.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 2.51 112.154 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -89.8 -21.12 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 4.04 110.664 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.76 -39.4 57.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.059 -0.519 . . . . 2.12 111.095 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.48 -12.44 8.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 2.79 111.085 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.31 -14.41 61.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 4.15 110.858 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -138.2 156.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 3.37 110.7 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.36 -51.03 2.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.426 2.084 . . . . 2.89 112.577 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.08 27.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.05 -0.523 . . . . 2.64 111.524 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.07 -72.35 1.13 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.753 -0.737 . . . . 1.75 112.832 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.27 141.16 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 2.23 110.805 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.44 161.65 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 1.5 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.6 t -120.43 130.24 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 1.88 111.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 209' ' ' ILE . 41.8 tp -93.71 127.52 39.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.177 -0.465 . . . . 2.67 110.444 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -105.99 110.28 3.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.655 -0.783 . . . . 1.4 112.689 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 47.8 mm -100.82 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.627 0.251 . . . . 2.06 111.032 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -114.74 155.21 27.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 5.19 111.027 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.94 132.54 53.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 3.73 110.982 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 4.63 110.77 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 131.7 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 3.58 111.109 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -124.85 -14.12 3.51 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.681 -0.771 . . . . 3.15 112.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.1 m 62.38 15.09 7.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.98 0.419 . . . . 4.35 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -120.74 94.26 4.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 4.28 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.607 ' HB2' ' HZ1' ' A' ' 153' ' ' LYS . 4.4 ttmp? -56.28 116.68 13.33 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.395 -0.366 . . . . 5.57 110.829 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.81 36.31 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.298 1.999 . . . . 3.3 112.609 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.23 56.13 3.31 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.686 -0.769 . . . . 2.71 112.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.485 HD23 HG21 ' A' ' 159' ' ' VAL . 84.7 mt -120.07 28.49 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 4.34 110.686 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -52.65 -46.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.904 -0.589 . . . . 4.04 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -64.14 -35.0 79.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 5.16 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.485 HG21 HD23 ' A' ' 156' ' ' LEU . 61.0 t -61.63 -25.99 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 3.48 110.959 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.67 -31.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 3.6 111.029 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.85 -44.73 72.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 3.01 110.895 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.76 -22.15 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 3.02 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -36.51 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.567 . . . . 2.72 111.322 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.47 -12.67 4.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 2.42 110.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.3 t -82.2 -31.85 30.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 2.22 111.393 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -103.88 51.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.179 0.514 . . . . 3.02 110.903 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.437 ' HA ' HD21 ' A' ' 228' ' ' LEU . 88.4 tttt -64.17 -41.99 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 4.14 110.951 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.5 p -106.67 148.85 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 2.82 111.155 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 2.4 mptp? -80.57 148.19 30.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 3.97 111.148 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.59 -9.63 26.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.931 -0.652 . . . . 2.38 112.514 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -108.08 176.42 5.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 3.72 111.238 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 91.9 p -142.12 168.39 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.869 -0.605 . . . . 2.54 111.053 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -155.95 125.13 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 2.36 110.744 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.34 121.35 16.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 3.74 111.103 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.527 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 45.5 t80 -144.58 109.01 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 5.29 110.508 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.0 t -114.42 -178.54 3.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 5.01 110.948 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.6 m120 61.68 56.82 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 7.01 111.246 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -96.3 150.21 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 5.44 110.443 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.47 78.38 11.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 3.92 111.285 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -78.59 -14.32 14.34 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.508 2.139 . . . . 5.03 112.156 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.22 -26.53 33.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 9.4 110.738 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.54 -19.86 36.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.743 . . . . 3.43 112.463 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 -13.08 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.547 0.213 . . . . 6.25 111.358 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.452 HD11 ' HD2' ' A' ' 185' ' ' PRO . 46.2 tp -103.13 117.4 60.45 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.675 -0.239 . . . . 5.0 111.27 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.452 ' HD2' HD11 ' A' ' 184' ' ' LEU . 85.8 Cg_endo -80.04 169.27 17.94 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.483 2.122 . . . . 4.45 112.226 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.16 -43.15 61.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.582 -0.281 . . . . 6.38 111.111 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.2 t 59.09 101.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.846 0.355 . . . . 5.39 111.329 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 85.4 mt -98.99 -53.69 3.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 4.68 110.955 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.93 153.08 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 3.78 110.595 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.43 ' HB2' ' HA ' ' A' ' 211' ' ' LEU . 31.0 p90 -169.96 146.52 3.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.753 0.311 . . . . 3.57 111.034 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.489 ' HB2' HG12 ' A' ' 210' ' ' VAL . 1.8 m-90 -72.57 170.24 14.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 4.84 110.248 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.2 t -147.39 166.76 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 2.03 111.572 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -162.64 75.8 2.04 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 3.02 110.637 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.471 ' HA ' HG23 ' A' ' 207' ' ' THR . 57.8 Cg_endo -72.73 161.16 44.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.461 2.107 . . . . 1.7 112.411 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 156.94 -148.62 18.65 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.664 -0.779 . . . . 1.85 112.638 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 20.3 m -124.39 179.79 4.78 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.744 0.307 . . . . 2.97 110.828 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.2 177.64 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 6.37 110.701 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' THR . . . . . 0.49 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 81.5 p -92.29 11.93 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 5.44 110.592 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.486 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 47.5 p -102.67 162.05 21.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.688 . . . . 5.31 110.711 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.486 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 76.4 Cg_exo -40.63 154.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.639 2.226 . . . . 6.09 112.542 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.73 101.47 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.534 2.156 . . . . 6.63 112.343 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.478 ' HB2' HD23 ' A' ' 203' ' ' LEU . 86.1 mt -131.94 -56.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 5.85 110.991 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 202' ' ' LEU . 0.9 OUTLIER -141.3 146.04 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 5.45 111.115 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.48 27.33 5.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 3.98 110.425 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.91 35.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.917 -0.583 . . . . 3.13 110.735 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.06 125.31 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 2.42 111.578 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 194' ' ' PRO . 5.9 m -112.48 149.16 33.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 1.8 110.499 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -113.93 108.41 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 3.11 110.974 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.595 ' HB ' HD11 ' A' ' 143' ' ' LEU . 7.9 mm -104.47 153.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 2.13 111.007 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 191' ' ' TRP . 3.0 p -142.2 123.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.393 . . . . 2.73 111.043 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 190' ' ' TYR . 86.8 mt -87.48 139.22 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 4.37 111.123 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.517 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 21.9 pttp -71.49 -11.87 61.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.529 . . . . 6.2 111.147 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.517 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 19.5 mm-40 -120.48 78.18 27.95 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.436 -0.347 . . . . 5.91 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.89 149.01 86.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.678 2.252 . . . . 4.22 112.114 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 118' ' ' LEU . 86.4 mt -68.95 130.28 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 4.88 110.656 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 48.2 t -81.75 142.92 32.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 3.8 111.423 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 67.2 t -142.0 140.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.636 . . . . 3.0 110.504 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 86.2 p -82.56 148.45 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.027 0.442 . . . . 3.66 111.115 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 97.6 p -65.85 -17.51 64.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.842 -0.617 . . . . 3.12 111.029 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.36 -27.96 61.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 4.51 110.75 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 4.63 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.4 -17.96 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 2.92 111.171 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.67 -21.08 66.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 3.21 110.745 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -83.16 -35.57 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 4.23 110.892 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -70.21 -25.04 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 4.01 111.069 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -61.0 -31.59 71.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 5.4 111.2 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -86.14 -15.17 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 3.8 111.38 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 167' ' ' LYS . 84.4 mt -76.73 162.1 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 3.46 111.135 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -81.54 165.84 20.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 3.16 111.123 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 231' ' ' ASN . 46.1 p90 -91.48 -4.94 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 6.2 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 230' ' ' PHE . 48.7 t-20 177.54 72.63 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.169 -0.469 . . . . 4.89 110.728 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 75.5 153.53 4.13 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.832 -0.699 . . . . 4.09 112.858 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.79 157.32 35.37 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 7.57 111.202 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.76 -1.61 45.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.949 -0.643 . . . . 6.57 112.535 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -107.89 152.22 41.55 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.528 0.204 . . . . 5.7 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -51.59 137.44 49.53 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.619 2.213 . . . . 7.04 112.403 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.8 99.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 6.78 111.2 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -137.12 150.95 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 5.03 110.878 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.95 146.79 54.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 5.59 111.043 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 19.2 ptp -86.52 2.59 47.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 5.6 111.205 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.552 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.8 p -66.64 144.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 3.98 111.09 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.78 38.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 3.67 110.256 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 96' ' ' HIS . 16.0 m120 -135.54 57.0 1.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 4.18 111.603 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -96.56 138.36 34.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 3.85 110.793 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.532 ' HD3' ' HD2' ' A' ' 246' ' ' PRO . 21.7 tpp180 -140.98 129.04 12.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 4.15 111.166 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.532 ' HD2' ' HD3' ' A' ' 245' ' ' ARG . 72.1 Cg_endo -75.43 166.9 27.75 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.338 2.025 . . . . 2.75 111.809 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -173.19 48.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.723 0.297 . . . . 3.18 111.65 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -57.79 130.43 82.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 5.96 110.525 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . 0.599 ' HA ' HG21 ' A' ' 31' ' ' VAL . 83.5 Cg_endo -81.69 123.51 4.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.449 2.099 . . . . 4.47 112.898 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 45.3 tp -80.53 -48.66 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 4.44 110.311 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . 0.63 ' HB2' ' HZ2' ' A' ' 251' ' ' LYS . 0.3 OUTLIER -161.75 -52.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.514 -0.766 . . . . 7.2 110.465 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 57.69 90.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 5.62 111.233 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -76.05 -65.56 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 6.22 110.447 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -144.58 136.15 25.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 3.56 110.436 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 15.3 tt -111.29 135.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 2.59 111.278 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.81 137.4 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 3.38 110.764 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.525 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.01 142.86 7.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.364 -0.38 . . . . 1.68 111.248 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 37.9 t -77.9 -20.5 52.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 2.4 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -111.95 147.12 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 3.83 110.559 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.148 -0.929 . . . . 4.92 111.101 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.467 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.808 0.337 . . . . 33.06 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -126.18 -66.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 30.18 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 57.85 86.77 0.07 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.142 -0.481 . . . . 30.03 110.988 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -153.43 132.45 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 27.02 110.914 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.93 163.52 16.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 25.84 110.808 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.13 53.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 23.39 112.548 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.37 -61.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 23.38 110.785 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.72 61.93 5.47 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 19.99 112.545 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -77.63 -25.26 49.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 19.51 110.713 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -85.14 -18.54 33.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 18.49 110.685 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -77.01 -13.46 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 18.8 110.65 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.03 144.57 3.95 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.737 -0.744 . . . . 16.54 112.486 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 145.41 35.2 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.537 2.158 . . . . 16.15 112.26 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -142.69 98.37 3.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 15.32 111.036 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -165.45 39.12 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 16.15 111.05 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -73.38 -31.53 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 11.77 111.021 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 11.8 p-80 -79.08 -6.0 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 13.21 111.447 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -85.36 5.87 28.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 16.22 110.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -152.57 -64.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 12.96 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -93.15 146.79 32.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 10.55 110.912 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.88 39.44 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.502 2.135 . . . . 10.34 112.284 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 HG23 ' HG ' ' A' ' 196' ' ' SER . 19.5 mm -81.68 -55.58 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.465 . . . . 8.43 110.904 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.11 -17.71 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 9.55 111.149 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 17' ' ' HIS . 17.7 tppt? -70.32 -17.27 63.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.864 0.364 . . . . 13.54 110.488 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.03 -177.22 21.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 8.88 112.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' H ' ' NH2' ' A' ' 253' ' ' ARG . 40.6 mt-10 57.41 91.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 8.92 110.931 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -111.43 15.57 21.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 10.3 110.724 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 61.85 71.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 6.98 110.949 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 75.8 p -124.1 144.36 45.1 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 3.85 110.654 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 18.6 Cg_exo -66.04 124.97 13.35 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.487 2.125 . . . . 3.29 112.37 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 32' ' ' ASP . 3.3 p -150.84 172.04 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.72 110.78 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.524 ' H ' HG23 ' A' ' 31' ' ' VAL . 6.3 p-10 -91.94 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 2.44 110.601 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -83.79 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.95 111.099 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.498 ' HB2' HG21 ' A' ' 37' ' ' THR . 3.6 m-20 -111.16 129.49 55.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 1.53 111.248 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.5 m -56.77 -19.24 15.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 2.28 110.681 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -79.0 -41.11 29.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 4.16 111.41 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.498 HG21 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -78.53 -21.35 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 2.26 111.235 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.13 157.78 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.59 111.006 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -126.33 141.87 51.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 4.1 110.777 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -86.87 97.93 10.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 4.34 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.24 111.07 18.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 3.04 110.807 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.97 90.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.504 2.136 . . . . 2.51 112.441 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -74.92 -45.62 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 3.54 110.599 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.69 150.18 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.49 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 4.8 mtpm? -107.05 116.32 58.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 4.66 110.907 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.84 125.8 20.18 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.05 1.833 . . . . 2.89 111.453 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.44 -0.345 . . . . 5.61 111.028 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.465 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 40.6 t -133.29 140.6 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 3.01 110.83 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.88 113.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 2.88 110.94 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 30.7 t -112.04 117.86 33.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 2.94 110.794 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -150.81 22.49 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.238 0.542 . . . . 5.23 110.324 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.47 -39.56 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 4.17 110.37 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.79 -8.65 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 5.15 110.636 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.65 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.32 120.45 3.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.282 -0.417 . . . . 2.19 110.8 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 178' ' ' PHE . 48.2 m -148.45 143.38 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.947 0.403 . . . . 2.31 111.369 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -96.84 155.94 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.928 -0.578 . . . . 2.24 110.497 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -111.83 -39.02 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 4.0 111.291 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -160.91 165.54 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 5.17 111.08 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.458 ' HB ' HG12 ' A' ' 68' ' ' VAL . 6.7 tt -131.72 111.92 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 2.2 110.73 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.09 157.44 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 3.06 111.167 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' CG ' ' H ' ' A' ' 170' ' ' GLY . 12.1 p30 -126.5 157.41 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 2.16 110.778 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -106.5 22.97 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 3.54 111.875 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.44 14.55 65.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.274 -0.965 . . . . 2.67 112.519 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -168.29 -52.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 5.03 110.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.99 147.12 40.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 2.49 110.689 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -120.47 139.7 52.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.252 -0.431 . . . . 3.96 111.191 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.11 153.09 48.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 3.14 110.818 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.458 HG12 ' HB ' ' A' ' 59' ' ' ILE . 3.1 m -114.99 116.59 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 2.51 111.267 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 37.8 tt0 -95.77 149.87 21.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.926 0.393 . . . . 3.84 111.141 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.58 159.69 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 4.98 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 16.0 t70 -83.02 98.08 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 3.04 110.793 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.44 30.64 6.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 3.88 111.144 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.7 m -60.87 -25.91 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.52 111.048 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -141.92 -68.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 4.49 110.936 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -150.8 137.41 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 2.84 110.703 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.65 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 12.7 tppt? -158.14 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 3.74 110.805 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 54' ' ' ALA . . . -141.2 123.63 15.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.97 111.037 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.07 148.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 2.27 111.01 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.598 ' HG ' HD22 ' A' ' 90' ' ' LEU . 76.0 mt -117.75 124.54 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.448 -0.342 . . . . 2.78 110.391 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 97.1 mttt -127.04 164.11 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 3.11 111.211 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.79 165.85 20.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.039 -0.601 . . . . 2.5 112.245 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.67 179.36 47.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.389 -0.91 . . . . 2.96 112.38 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.87 -36.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.622 2.215 . . . . 4.5 112.553 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -55.38 148.91 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.164 -0.471 . . . . 3.36 111.267 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.9 15.84 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 5.04 110.638 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.97 78.48 1.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 2.03 112.582 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 t -58.58 149.6 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 2.23 111.03 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -112.41 116.98 31.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.273 -0.421 . . . . 3.57 110.853 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -102.41 135.28 44.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 4.36 110.899 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.598 HD22 ' HG ' ' A' ' 79' ' ' LEU . 1.4 mm? -90.82 139.35 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 3.01 110.421 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.501 ' N ' HD13 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 2.89 111.553 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 13.9 pt20 -159.35 161.76 35.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.597 -0.274 . . . . 3.0 111.065 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.47 157.46 45.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 1.76 110.968 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -124.18 168.73 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.983 -0.553 . . . . 1.36 110.832 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -110.68 151.76 27.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.343 -0.39 . . . . 3.9 111.259 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -116.94 173.09 6.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.084 -0.507 . . . . 2.17 110.057 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -167.5 150.38 6.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 6.63 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 241' ' ' VAL . . . -117.69 -153.95 9.77 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.903 -0.665 . . . . 3.04 112.397 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.49 ' HA ' ' HE3' ' A' ' 240' ' ' MET . 41.8 t -90.36 -26.28 20.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 4.64 110.996 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.98 150.79 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 5.7 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.06 8.01 11.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 5.38 110.728 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 -26.89 11.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 4.71 111.857 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -153.42 155.66 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 5.24 111.101 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.42 70.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 2.08 112.463 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.4 p -167.91 165.86 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 2.22 110.996 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 39.1 mt-10 -83.11 -76.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.64 110.702 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -81.87 162.82 22.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 2.79 110.586 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 32' ' ' ASP . 26.4 p -145.42 88.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 2.38 111.185 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.545 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.7 m -77.75 159.29 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 2.7 111.36 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.61 23.79 6.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 2.18 110.856 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 59.74 10.81 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 3.86 111.371 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -93.24 154.47 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 4.34 111.001 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -106.33 154.77 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 3.01 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -130.41 134.92 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.48 110.528 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.02 -44.43 11.58 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.97 0.414 . . . . 2.1 110.977 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -122.35 162.12 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 1.99 110.214 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -152.8 139.89 19.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.017 0.436 . . . . 2.4 112.096 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.691 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 53.5 mt -86.84 148.03 25.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 2.52 110.349 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.98 95.72 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.314 . . . . 1.93 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.413 HD22 HD23 ' A' ' 143' ' ' LEU . 63.6 tp -98.49 139.56 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 2.98 110.38 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.56 136.26 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 2.44 111.541 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.486 ' HE2' ' HB1' ' A' ' 141' ' ' ALA . 19.4 p-80 -131.97 134.11 45.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 3.2 110.531 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -130.57 120.72 24.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 4.68 110.355 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.555 ' N ' ' HH ' ' A' ' 127' ' ' TYR . 3.0 m-20 -55.42 142.91 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 2.56 111.082 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.0 t -82.09 -14.28 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 2.19 111.186 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -48.56 -36.28 15.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.979 -0.555 . . . . 4.02 111.841 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.555 ' HH ' ' N ' ' A' ' 124' ' ' ASN . 9.9 p90 -100.03 -30.3 12.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.834 -0.346 . . . . 4.5 111.633 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.34 -22.55 0.63 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.82 -0.705 . . . . 2.38 113.336 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 127' ' ' TYR . 6.8 p-10 -141.88 147.92 37.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.994 0.397 . . . . 3.07 111.226 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.13 -21.1 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.853 -0.612 . . . . 3.61 110.866 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -39.84 98.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 2.51 112.278 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HA ' HE21 ' A' ' 135' ' ' GLN . 63.5 mttp -89.86 -18.27 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 4.04 111.022 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.42 66.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 2.12 111.066 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.0 -12.45 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 2.79 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.451 HE21 ' HA ' ' A' ' 132' ' ' LYS . 39.9 mt-30 -72.32 2.2 6.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.332 . . . . 4.15 111.019 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -152.91 145.47 17.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 3.37 110.798 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.66 -16.25 42.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.694 2.263 . . . . 2.89 112.213 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.11 21.06 18.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 2.64 111.058 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.16 -80.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 1.75 112.812 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.23 135.87 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 2.23 111.018 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.486 ' HB1' ' HE2' ' A' ' 122' ' ' HIS . . . -114.58 165.2 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 1.5 110.619 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.39 130.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 1.88 111.552 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 120' ' ' LEU . 49.5 tp -86.02 143.89 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 2.67 110.682 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.07 109.78 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 1.4 112.309 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 63.1 mt -104.91 141.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 2.06 110.848 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.74 152.08 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 5.19 111.148 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 81.4 mt -129.47 134.04 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 3.73 110.667 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -114.92 134.54 55.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 4.63 110.957 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.6 148.59 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 3.58 111.047 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 106.58 51.29 0.81 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.745 -0.741 . . . . 3.15 112.735 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.1 m -129.5 131.58 46.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.657 0.265 . . . . 4.35 110.637 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.65 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.372 . . . . 4.28 111.156 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.564 ' HZ1' ' HB3' ' A' ' 153' ' ' LYS . 4.7 ttpm? -55.64 118.51 19.87 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 5.57 111.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.01 -21.75 9.18 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.3 2.0 . . . . 3.3 112.347 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.19 56.57 0.01 OUTLIER Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.852 -0.69 . . . . 2.71 112.596 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.28 19.31 14.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.743 0.306 . . . . 4.34 110.861 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.437 ' HB2' ' HE3' ' A' ' 153' ' ' LYS . 10.5 tt0 -59.84 -21.41 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 4.04 110.961 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -56.77 -25.77 56.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 5.16 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.21 -31.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 3.48 110.809 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.96 -30.9 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 3.6 110.904 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 -38.89 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 3.01 110.629 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.9 t -69.2 -24.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.965 -0.562 . . . . 3.02 111.082 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -32.34 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 2.72 111.0 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.92 -12.63 11.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 2.42 110.869 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 49.4 m -85.37 -26.15 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 2.22 111.093 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.19 51.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.227 0.537 . . . . 3.02 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.3 -47.14 65.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 4.14 110.416 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 31.4 p -118.51 136.74 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 2.82 111.145 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -74.46 147.36 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 3.97 110.667 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.459 ' H ' ' CG ' ' A' ' 61' ' ' ASN . . . 111.74 -18.69 24.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.891 -0.671 . . . . 2.38 112.776 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -97.02 154.45 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 3.72 110.845 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.7 p -98.24 161.63 13.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 2.54 111.215 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.52 118.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 2.36 110.746 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -82.54 143.07 31.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.384 . . . . 3.74 111.507 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -156.52 105.04 2.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 5.29 110.481 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.9 t -118.7 -174.74 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 5.01 111.146 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 65.34 56.85 0.95 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 7.01 110.856 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . 0.481 ' H ' HG22 ' A' ' 55' ' ' THR . 64.3 t80 -99.38 136.01 39.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 5.44 110.659 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.4 92.39 11.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 3.92 111.108 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.44 -13.25 15.12 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.714 2.276 . . . . 5.03 112.646 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.16 -18.75 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 9.4 110.578 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.02 69.06 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.757 -0.735 . . . . 3.43 112.455 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.52 18.98 12.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.599 0.238 . . . . 6.25 111.162 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 185' ' ' PRO . 52.5 tp -51.96 116.53 8.35 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.332 -0.395 . . . . 5.0 110.95 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.48 ' HD2' HD11 ' A' ' 184' ' ' LEU . 85.7 Cg_endo -77.79 165.22 26.97 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.479 2.119 . . . . 4.45 112.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.66 -23.31 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.918 -0.583 . . . . 6.38 110.883 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.7 m 55.09 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 5.39 111.182 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 20.0 tp -144.09 -79.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 4.68 110.489 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 20.0 m-20 -79.0 172.82 13.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 3.78 110.657 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -147.05 179.1 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 3.57 110.756 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.542 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 t-105 -148.14 131.11 16.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 4.84 109.939 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 9.3 t -133.9 165.89 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 2.03 111.875 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -159.4 73.56 3.34 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.971 -0.559 . . . . 3.02 110.602 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.606 ' HA ' HG22 ' A' ' 207' ' ' THR . 57.7 Cg_endo -72.34 129.32 14.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.484 2.122 . . . . 1.7 112.411 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -138.19 -145.56 4.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.786 -0.721 . . . . 1.85 112.497 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.515 ' HG ' HG23 ' A' ' 22' ' ' ILE . 21.5 m -114.04 179.32 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.642 0.258 . . . . 2.97 110.65 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 205' ' ' CYS . 88.7 mt -59.67 176.57 0.27 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 6.37 110.906 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' THR . . . . . 0.437 HG23 HG23 ' A' ' 199' ' ' THR . 5.3 t -58.69 -30.23 67.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.188 0.518 . . . . 5.44 110.097 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 36.8 p -90.29 165.95 21.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 5.31 110.082 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 65.7 Cg_exo -39.23 155.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.476 2.117 . . . . 6.09 112.663 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -34.24 104.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.279 2.653 . . . . 6.63 113.383 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 197' ' ' LEU . 44.7 tp -132.46 -41.94 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.918 -0.583 . . . . 5.85 111.154 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 20.4 tp -170.89 156.95 5.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.43 -0.35 . . . . 5.45 110.694 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.92 27.09 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 3.98 110.711 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . 0.502 ' HB3' HD22 ' A' ' 197' ' ' LEU . 46.3 t -49.8 -34.95 21.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 3.13 111.001 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.6 123.31 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 2.42 110.693 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.606 HG22 ' HA ' ' A' ' 194' ' ' PRO . 23.7 m -113.17 142.33 45.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 1.8 111.458 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -98.92 108.4 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 3.11 110.204 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 209' ' ' ILE . 4.3 mp -104.63 151.81 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 2.13 110.817 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.36 125.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 2.73 110.906 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.86 162.23 4.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 4.37 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.493 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 14.8 ptmm? -57.68 -44.79 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.304 . . . . 6.2 110.908 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.493 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 10.7 pt-20 -139.65 130.72 14.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 5.91 110.876 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -84.67 157.0 12.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.622 2.214 . . . . 4.22 112.404 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.6 mm -80.38 142.49 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 4.88 110.652 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -98.36 138.7 35.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 3.8 111.595 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 14.2 t -116.43 154.28 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.835 -0.62 . . . . 3.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.521 ' H ' HE21 ' A' ' 221' ' ' GLN . 84.8 p -109.84 149.89 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 3.66 110.915 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.8 t -59.71 -15.57 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 3.12 110.807 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.14 -35.66 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 4.51 110.215 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.521 HE21 ' H ' ' A' ' 218' ' ' SER . 23.5 mt-30 -68.96 -24.58 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 4.63 110.598 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 226' ' ' ARG . 27.7 m -112.64 10.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 2.92 111.172 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.16 -42.24 80.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 3.21 110.743 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.502 ' HZ2' ' HE3' ' A' ' 227' ' ' LYS . 31.2 mmmt -84.29 -14.38 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 4.23 111.054 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . 0.413 ' HA ' HD13 ' A' ' 228' ' ' LEU . 33.0 t80 -74.93 -32.04 61.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 4.01 111.023 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 77.1 mtm180 -62.25 -25.17 67.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 5.4 111.027 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.502 ' HE3' ' HZ2' ' A' ' 224' ' ' LYS . 66.7 mttm -70.49 -10.04 58.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 3.8 110.89 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 225' ' ' PHE . 8.0 mp -95.08 162.25 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 3.46 110.995 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.1 170.14 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 3.16 110.524 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -49.86 -47.07 51.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.866 0.365 . . . . 6.2 110.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -112.88 162.74 15.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.558 . . . . 4.89 110.655 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -75.15 -167.19 20.18 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.813 -0.708 . . . . 4.09 112.674 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.88 157.38 37.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 7.57 111.09 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 100.29 1.54 55.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.852 -0.689 . . . . 6.57 112.431 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.45 156.29 69.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.479 0.181 . . . . 5.7 110.706 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.78 160.79 3.62 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.559 2.172 . . . . 7.04 112.347 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.0 109.15 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 6.78 111.039 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -102.95 149.72 24.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 5.03 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.77 116.19 16.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 5.59 110.634 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -59.69 -20.41 56.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 5.6 110.7 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.404 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 11.5 p -83.27 145.57 8.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 3.98 110.737 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.6 t70 179.52 -36.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.451 -0.341 . . . . 3.67 111.097 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -85.17 26.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 4.18 111.29 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -97.36 132.92 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 3.85 110.369 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.525 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 4.1 mmp_? -141.22 155.74 67.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 4.15 111.323 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.56 172.96 14.94 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 2.75 112.007 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -135.15 31.83 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 3.18 111.061 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.96 122.56 72.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 5.96 110.8 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.07 128.85 10.14 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.433 2.089 . . . . 4.47 112.382 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 250' ' ' LEU . 2.0 pt? -76.45 -35.68 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 4.44 110.648 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -160.06 -64.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 7.2 110.503 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -172.31 -66.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 5.62 110.664 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . 0.426 ' NH2' ' H ' ' A' ' 26' ' ' GLU . 20.8 mmm180 61.31 146.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.118 -0.492 . . . . 6.22 111.578 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.46 145.88 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 3.56 110.613 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 14.4 tt -116.1 143.81 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 2.59 111.589 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 256' ' ' LYS . 3.5 mptp? -109.6 120.41 42.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.514 . . . . 3.38 110.587 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -138.37 162.98 33.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 1.68 110.86 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 42.5 t -70.47 -23.12 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.4 110.201 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 68.1 t80 -111.83 146.3 37.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.711 -0.677 . . . . 3.83 110.801 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.139 -0.934 . . . . 4.92 111.123 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.377 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.799 0.333 . . . . 33.06 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -117.39 150.08 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 30.18 110.888 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -115.78 130.59 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 30.03 111.036 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.31 139.67 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 27.02 110.734 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -140.21 125.23 18.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 25.84 110.686 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.1 -18.73 46.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 23.39 112.344 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.5 178.45 4.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.697 0.284 . . . . 23.38 110.61 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.42 -4.83 1.79 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.62 -0.8 . . . . 19.99 112.609 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -74.92 -39.79 61.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 19.51 110.749 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -92.66 -27.69 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 18.49 110.704 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.89 4.69 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 18.8 110.778 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.08 -72.26 1.28 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.772 -0.728 . . . . 16.54 112.427 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.45 142.29 71.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.43 2.087 . . . . 16.15 112.054 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.06 97.3 4.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 15.32 110.982 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 54.55 89.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 16.15 111.372 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -72.03 -14.65 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 11.77 110.609 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -85.14 -36.42 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 13.21 110.721 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -85.48 -3.63 58.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 16.22 110.843 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.6 -63.88 1.27 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 12.96 111.081 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -82.3 143.43 48.42 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.348 -0.387 . . . . 10.55 111.046 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.44 20.86 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.687 2.258 . . . . 10.34 112.704 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.77 -49.82 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 8.43 110.369 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.22 -27.78 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.557 . . . . 9.55 110.323 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -77.13 -15.33 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 13.54 110.489 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.0 -140.53 3.79 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.81 -0.709 . . . . 8.88 112.565 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 63.35 19.4 11.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.876 0.369 . . . . 8.92 110.946 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -96.36 -5.99 38.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 10.3 110.22 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.74 145.31 49.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 6.98 111.081 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.31 153.53 23.69 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 3.85 110.82 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 128.67 31.31 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.515 2.143 . . . . 3.29 112.251 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -144.24 176.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 2.72 110.796 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 61.3 m-20 -85.55 98.6 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 2.44 110.787 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 33' ' ' ILE . 2.9 mp -83.74 139.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 1.95 110.73 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' HG23 ' A' ' 37' ' ' THR . 4.3 m-20 -113.13 129.09 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 1.53 110.888 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.8 p -72.9 -8.33 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 2.28 110.704 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -88.67 -39.46 14.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.851 -0.613 . . . . 4.16 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' ' 34' ' ' ASP . 12.1 t -76.28 -20.75 57.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 2.26 111.005 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.04 157.65 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 1.59 110.947 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -119.25 146.02 45.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.451 -0.34 . . . . 4.1 111.028 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.553 ' HB3' ' HG2' ' A' ' 260' ' ' LYS . 38.1 p90 -76.88 132.96 39.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 4.34 110.94 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -130.29 92.45 35.75 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 3.04 111.369 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.69 12.65 2.12 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.506 2.137 . . . . 2.51 112.405 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 m -74.93 -7.57 53.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 3.54 110.959 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 258' ' ' SER . 4.6 mp -105.18 113.04 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.542 . . . . 3.49 110.662 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 37.5 mtmm -78.67 158.5 75.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 4.66 110.874 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 12.1 Cg_endo -55.4 140.36 82.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.494 2.13 . . . . 2.89 112.149 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD21 ' H ' ' A' ' 47' ' ' LEU . 2.6 pt? -99.38 160.45 14.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 5.61 111.404 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -127.85 109.74 11.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.788 -0.642 . . . . 3.01 110.601 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 m -107.85 148.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 2.88 111.589 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -113.23 137.91 50.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.227 -0.442 . . . . 2.94 110.731 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -171.54 37.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 5.23 111.143 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.02 -19.97 46.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 4.17 110.027 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -117.07 1.82 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.675 . . . . 5.15 110.836 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.601 ' HA ' ' HG2' ' A' ' 76' ' ' LYS . . . -52.38 124.61 13.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.458 -0.337 . . . . 2.19 110.97 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.47 HG21 ' H ' ' A' ' 178' ' ' PHE . 51.7 m -152.81 144.28 23.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 2.31 111.739 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -92.46 150.02 21.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.835 -0.62 . . . . 2.24 110.346 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.65 -38.39 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 4.0 111.479 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -161.31 157.93 26.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 5.17 111.326 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.8 mt -121.21 119.3 58.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 2.2 110.744 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -108.79 153.97 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 3.06 110.519 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.532 ' N ' HD21 ' A' ' 61' ' ' ASN . 0.9 OUTLIER -95.06 153.22 17.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 2.16 111.156 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -106.69 23.18 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 3.54 111.314 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.93 11.11 84.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.601 -0.809 . . . . 2.67 112.472 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -179.54 -49.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 5.03 110.926 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.71 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 2.49 110.876 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.2 133.74 55.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 3.96 110.737 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -133.32 146.84 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 3.14 110.689 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.91 133.04 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 2.51 111.013 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.622 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 40.3 tt0 -105.11 142.0 35.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.964 0.411 . . . . 3.84 111.327 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -117.57 147.47 42.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.796 -0.638 . . . . 4.98 110.629 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.98 101.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 3.04 110.514 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.16 0.27 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 3.88 111.126 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' A' ' 74' ' ' GLN . 48.1 t -58.05 -29.15 65.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 3.52 110.695 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 74' ' ' GLN . 1.9 mp0 -129.08 177.12 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.49 110.566 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.96 78.12 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 2.84 110.589 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.601 ' HG2' ' HA ' ' A' ' 54' ' ' ALA . 41.3 tttt -88.23 -61.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 3.74 111.032 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . . . -149.07 118.39 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.97 111.242 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -127.07 161.57 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 2.27 111.233 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 79' ' ' LEU . 1.4 mm? -119.4 120.92 38.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 2.78 110.874 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -145.54 164.57 31.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 3.11 110.936 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.68 -167.54 13.46 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.866 -0.683 . . . . 2.5 112.478 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.75 -159.84 36.76 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.775 -0.726 . . . . 2.96 112.64 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -42.06 2.05 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.534 2.156 . . . . 4.5 112.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.73 156.42 26.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 3.36 111.032 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.63 10.74 39.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 5.04 111.148 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.07 126.22 7.98 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.762 -0.732 . . . . 2.03 112.527 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 t -94.02 133.53 37.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 2.23 111.253 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 83.2 m-85 -113.17 140.21 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 3.57 110.686 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -101.53 140.25 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 4.36 110.797 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD22 HD23 ' A' ' 79' ' ' LEU . 4.0 pp -82.94 142.11 31.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.464 -0.335 . . . . 3.01 110.675 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.661 HG23 ' HG3' ' A' ' 92' ' ' GLN . 4.4 mp -116.38 -73.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.486 -0.325 . . . . 2.89 111.36 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.661 ' HG3' HG23 ' A' ' 91' ' ' ILE . 44.9 mt-30 -150.69 157.57 43.12 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.647 0.26 . . . . 3.0 111.013 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 27.8 p90 -138.76 148.84 44.35 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.993 0.425 . . . . 1.76 110.894 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -128.08 168.19 15.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.36 110.761 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -111.29 158.25 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 3.9 111.185 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -116.7 168.96 9.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 2.17 110.735 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.408 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 62.3 t-105 -172.14 92.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 6.63 110.24 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.9 161.74 0.93 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.994 -0.622 . . . . 3.04 112.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.429 ' HB3' ' H ' ' A' ' 242' ' ' ASP . 89.1 p -72.64 -18.25 61.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 4.64 110.933 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.94 146.21 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 5.7 110.615 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.97 26.87 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 5.38 110.708 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.93 -44.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 4.71 112.601 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -158.81 169.8 23.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.885 0.374 . . . . 5.24 111.108 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.07 89.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.918 -0.658 . . . . 2.08 112.535 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -158.08 172.84 17.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.674 0.273 . . . . 2.22 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 245' ' ' ARG . 43.5 mt-10 -75.96 -86.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.49 -0.323 . . . . 2.64 111.391 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -70.85 169.55 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 2.79 111.213 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 43.5 m -143.78 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 2.38 110.892 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.03 153.61 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 2.7 111.305 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.8 t70 55.63 27.85 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.793 -0.64 . . . . 2.18 110.843 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm 57.83 16.22 3.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 3.86 111.369 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -118.64 127.13 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 4.34 110.541 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -94.38 155.65 16.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 3.01 110.819 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.86 153.0 23.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 2.48 110.869 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.78 23.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.355 -0.384 . . . . 2.1 111.417 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.88 152.87 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.99 110.561 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.55 137.37 17.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 2.4 111.841 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.1 mt -86.76 147.85 25.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 2.52 110.354 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -127.58 97.04 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 1.93 111.491 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 70.1 tp -93.46 123.82 37.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.404 . . . . 2.98 110.597 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.23 146.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.815 0.341 . . . . 2.44 111.389 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.607 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 69.4 m-70 -129.71 163.19 26.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 3.2 110.861 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -171.44 120.58 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 4.68 110.771 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -57.1 123.25 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 2.56 111.033 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -84.9 -15.18 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 2.19 111.555 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -56.38 -27.26 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 4.02 110.91 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -78.13 -28.73 48.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 4.5 110.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.11 -46.76 3.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 2.38 112.737 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.09 157.54 46.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 3.07 110.904 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.451 ' HA ' ' HB1' ' A' ' 133' ' ' ALA . 48.7 p90 -63.88 -19.61 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 3.61 111.135 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.24 -49.11 78.96 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.655 -0.784 . . . . 2.51 112.622 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -21.3 23.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 4.04 110.78 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 130' ' ' PHE . . . -67.24 -41.19 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 2.12 111.223 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 130' ' ' PHE . 24.3 m -65.16 -9.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 2.79 111.588 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 4.15 110.747 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.565 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 29.6 tt0 -79.12 135.64 58.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 3.37 110.39 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.8 -18.06 15.21 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.625 2.217 . . . . 2.89 112.801 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.565 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 32.3 t70 -117.61 -12.76 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.574 -0.285 . . . . 2.64 111.314 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.33 -102.69 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.944 -0.646 . . . . 1.75 112.737 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -102.58 166.99 10.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.65 0.262 . . . . 2.23 110.578 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -116.24 149.75 38.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 1.5 111.121 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.475 HG22 HG13 ' A' ' 206' ' ' VAL . 46.6 t -122.34 111.6 31.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 1.88 111.356 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 212' ' ' LYS . 52.5 tp -88.94 108.8 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 2.67 110.686 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -88.53 110.38 3.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 1.4 112.598 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 68.1 mt -100.16 139.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 2.06 110.983 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -117.37 135.05 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 5.19 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 90.8 mt -101.94 140.32 36.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 3.73 111.14 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -118.92 134.99 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 4.63 110.731 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.88 147.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 3.58 110.85 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.35 141.65 12.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.813 -0.708 . . . . 3.15 112.345 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.3 t 61.25 72.44 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 4.35 110.405 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . -62.72 -169.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 4.28 111.712 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.564 ' HD3' ' HB2' ' A' ' 156' ' ' LEU . 16.7 ptpt -59.3 153.61 46.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.762 -0.654 . . . . 5.57 111.277 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.76 -12.22 35.07 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.682 2.255 . . . . 3.3 112.159 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 137.48 62.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 2.71 112.693 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.564 ' HB2' ' HD3' ' A' ' 153' ' ' LYS . 64.5 mt -121.25 27.53 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 4.34 110.626 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.64 -21.54 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.878 -0.601 . . . . 4.04 111.566 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -56.74 -32.27 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 5.16 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 41.4 t -73.06 -29.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 3.48 111.05 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.405 HG12 ' HD2' ' A' ' 225' ' ' PHE . 58.6 t -64.67 -20.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 3.6 111.072 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.95 -19.94 31.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 3.01 110.984 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.27 -57.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 3.02 111.414 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 2.72 110.955 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 167' ' ' LYS . 17.4 t70 -49.6 -19.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.807 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.4 t -88.24 -43.56 11.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.735 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.0 pt -93.81 50.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 3.02 111.361 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 164' ' ' ASP . 32.6 mmmt -59.54 -48.85 80.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 4.14 110.993 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 75.3 p -70.37 143.79 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 2.82 111.002 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.556 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.63 148.18 30.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 3.97 110.98 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.79 -26.5 10.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.014 -0.612 . . . . 2.38 112.365 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -104.46 176.48 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 3.72 110.808 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.5 p -149.51 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 2.54 110.943 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -125.65 135.03 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.568 . . . . 2.36 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.85 117.51 29.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.457 -0.338 . . . . 3.74 111.018 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.17 111.9 10.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 5.29 110.649 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.478 ' HG1' ' H ' ' A' ' 177' ' ' ASN . 10.6 t -109.22 177.74 4.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 5.01 110.939 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.478 ' H ' ' HG1' ' A' ' 176' ' ' THR . 21.3 t-20 60.11 57.2 3.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 7.01 110.959 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . 0.47 ' H ' HG21 ' A' ' 55' ' ' THR . 53.6 t80 -88.6 136.16 33.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.572 . . . . 5.44 110.556 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . 0.57 ' HB3' ' HG2' ' A' ' 181' ' ' ARG . 12.3 m-20 -68.59 111.13 7.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.351 -0.386 . . . . 3.92 111.032 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.7 -10.29 28.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.575 2.183 . . . . 5.03 112.262 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . 0.57 ' HG2' ' HB3' ' A' ' 179' ' ' ASP . 15.6 ptp180 -70.31 -28.31 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 9.4 110.632 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -68.02 -9.44 56.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 3.43 112.277 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.24 -13.89 19.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 6.25 110.745 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.4 ' HG ' ' HA ' ' A' ' 181' ' ' ARG . 90.4 mt -56.1 125.98 65.68 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 5.0 110.906 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.97 140.01 19.87 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.469 2.113 . . . . 4.45 112.458 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.74 -22.17 56.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 6.38 110.804 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 79.9 p -157.06 150.53 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 5.39 110.834 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.03 126.35 52.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.299 -0.409 . . . . 4.68 110.689 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.567 ' HB3' HD21 ' A' ' 211' ' ' LEU . 8.4 m-20 -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 3.78 110.871 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -142.58 143.14 32.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.375 . . . . 3.57 110.619 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.61 ' HB2' HD22 ' A' ' 211' ' ' LEU . 10.0 t-105 -172.25 120.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 4.84 110.598 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 5.7 t -119.35 147.92 43.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 2.03 110.802 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -167.45 86.72 0.77 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.43 -0.35 . . . . 3.02 111.14 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.475 ' HA ' HG22 ' A' ' 207' ' ' THR . 52.8 Cg_endo -69.6 128.35 16.04 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.32 2.014 . . . . 1.7 112.004 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.73 -160.98 10.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.496 -0.859 . . . . 1.85 112.858 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 40.1 m -152.75 -177.5 6.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 2.97 110.516 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 7.6 mp -82.95 173.92 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.593 -0.276 . . . . 6.37 110.853 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 86.7 m -68.7 -32.33 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.973 0.416 . . . . 5.44 110.632 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 6.2 t -124.02 138.62 30.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 5.31 110.905 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.42 123.68 12.5 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.288 1.992 . . . . 6.09 111.95 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.14 -52.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.509 2.139 . . . . 6.63 112.507 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 203' ' ' LEU . 2.6 pt? -172.16 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 5.85 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 204' ' ' GLU . 0.2 OUTLIER -151.74 145.54 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 5.45 110.779 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . 0.558 ' H ' HD12 ' A' ' 203' ' ' LEU . 34.0 tt0 -77.91 84.71 4.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 3.98 110.773 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.62 24.14 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 3.13 110.53 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . 0.475 HG13 HG22 ' A' ' 142' ' ' VAL . 8.2 t -116.43 113.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 2.42 111.194 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 194' ' ' PRO . 32.7 m -113.19 149.08 34.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.8 111.036 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -106.18 114.77 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 3.11 111.063 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' ' 212' ' ' LYS . 3.5 mp -126.3 136.7 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 2.13 110.384 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . 0.503 HG13 HD11 ' A' ' 211' ' ' LEU . 2.4 t -136.32 168.44 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 2.73 111.36 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 191' ' ' TRP . 11.0 mp 67.68 9.52 7.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.911 -0.586 . . . . 4.37 111.346 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.496 ' HB3' HD13 ' A' ' 143' ' ' LEU . 24.0 ttmm -82.5 -43.5 17.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 6.2 110.532 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 77.38 4.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 5.91 110.37 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 159.5 27.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.888 2.392 . . . . 4.22 112.426 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 48.7 mm -124.9 137.62 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 4.88 110.868 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 25.4 t -100.93 114.4 28.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 3.8 111.296 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.49 141.22 18.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.164 -0.471 . . . . 3.0 110.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 152' ' ' ALA . 40.7 t -106.06 148.24 28.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.865 0.364 . . . . 3.66 110.992 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.46 ' HA ' HG23 ' A' ' 222' ' ' VAL . 90.7 p -80.22 -18.4 49.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 3.12 111.243 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.69 -25.83 37.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 4.51 110.669 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -88.04 -24.8 23.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 4.63 111.297 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.574 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 30.1 m -102.14 24.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.381 . . . . 2.92 111.195 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.43 -37.17 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 3.21 110.722 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.91 -14.81 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 4.23 110.771 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 87.5 t80 -80.05 -35.47 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 4.01 111.02 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 222' ' ' VAL . 36.0 mmt180 -73.92 -0.07 14.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 5.4 111.347 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.673 ' HB3' ' HZ2' ' A' ' 227' ' ' LYS . 9.6 mtpm? -72.76 -7.96 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.434 -0.348 . . . . 3.8 111.384 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.12 162.23 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 3.46 111.363 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.13 166.87 21.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.039 -0.528 . . . . 3.16 111.402 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -100.41 -0.95 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.964 -0.562 . . . . 6.2 110.953 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 232' ' ' GLY . 6.7 t30 -177.45 171.83 1.9 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.295 -0.411 . . . . 4.89 110.681 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . 0.483 ' N ' ' HB2' ' A' ' 169' ' ' LYS . . . -52.96 163.35 2.16 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.123 -0.56 . . . . 4.09 113.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.07 157.86 4.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.99 0.424 . . . . 7.57 111.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 104.31 -3.82 43.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.975 -0.631 . . . . 6.57 112.254 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -114.82 152.26 46.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.473 0.177 . . . . 5.7 110.613 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.06 134.03 50.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.435 2.09 . . . . 7.04 111.77 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.19 117.38 1.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 6.78 111.295 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -157.26 136.2 11.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 5.03 110.685 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.53 142.51 44.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 5.59 111.032 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 240' ' ' MET . 0.0 OUTLIER -53.87 130.95 38.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 5.6 110.768 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 22.8 m -144.38 -175.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 3.98 111.46 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . 0.429 ' H ' ' HB3' ' A' ' 99' ' ' SER . 46.3 m-20 68.44 41.7 1.73 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 3.67 110.97 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.408 ' HB2' ' C ' ' A' ' 97' ' ' TRP . 30.9 m-20 -118.44 29.71 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.58 . . . . 4.18 110.702 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -103.5 159.79 15.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 3.85 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.618 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 18.5 tpt180 -141.03 141.63 24.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 4.15 110.92 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' A' ' 245' ' ' ARG . 46.6 Cg_exo -56.69 172.4 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.263 1.975 . . . . 2.75 112.116 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.07 45.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 3.18 111.13 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -55.19 135.41 68.53 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 5.96 110.838 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.99 124.52 9.67 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.418 2.079 . . . . 4.47 112.558 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 64.9 tp -79.94 -31.89 40.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 4.44 110.856 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 66.07 13.44 9.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.695 -0.684 . . . . 7.2 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -147.7 171.45 15.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.327 -0.397 . . . . 5.62 111.214 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 66.78 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.789 -0.641 . . . . 6.22 111.491 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -106.36 166.05 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 3.56 110.619 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.481 ' N ' HD11 ' A' ' 255' ' ' ILE . 3.8 mp -106.94 144.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.34 -0.391 . . . . 2.59 110.645 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -116.18 91.73 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 3.38 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -110.94 169.78 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 1.68 111.072 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . 41.9 t -77.2 -15.43 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 2.4 110.483 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -111.69 147.67 35.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.629 . . . . 3.83 110.599 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . 0.553 ' HG2' ' HB3' ' A' ' 40' ' ' TYR . 68.6 mttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.252 -0.88 . . . . 4.92 111.255 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.424 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.5 mmm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.736 0.303 . . . . 33.06 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -95.67 -12.0 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 30.18 110.904 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -112.17 143.51 43.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 30.03 110.774 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -119.87 26.27 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 27.02 110.978 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -137.94 141.73 40.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 25.84 110.928 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.98 43.45 26.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.778 -0.725 . . . . 23.39 112.456 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -117.18 14.81 14.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 23.38 110.964 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.08 77.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 19.99 112.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -80.62 -45.95 16.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 19.51 110.765 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.35 -20.93 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 18.49 110.736 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -111.46 11.32 21.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 18.8 110.788 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.78 -166.25 38.72 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.818 -0.706 . . . . 16.54 112.63 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.71 147.67 63.69 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.709 2.273 . . . . 16.15 112.388 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.03 126.4 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 15.32 110.91 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 16.15 110.703 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -76.06 -20.92 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 11.77 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 24' ' ' LYS . 53.3 p-80 -85.25 -0.33 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 13.21 110.821 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -86.45 -11.32 52.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.535 . . . . 16.22 110.595 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -87.25 -52.8 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 12.96 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.5 147.11 64.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 10.55 110.853 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HA ' ' HG2' ' A' ' 24' ' ' LYS . 72.8 Cg_endo -76.02 14.84 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.505 2.137 . . . . 10.34 112.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 204' ' ' GLU . 78.9 mt -81.41 -28.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 8.43 110.848 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 17' ' ' HIS . . . -87.84 -43.17 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 9.55 110.739 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' HIS . 14.7 ptmm? -84.03 5.35 26.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 13.54 110.847 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.37 161.5 53.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 8.88 112.533 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.15 37.73 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.781 0.324 . . . . 8.92 111.241 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.413 HH22 ' NZ ' ' A' ' 256' ' ' LYS . 87.8 mtt180 -135.44 25.33 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 10.3 110.466 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -106.84 27.92 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 6.98 110.966 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -134.68 148.91 69.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.383 -0.371 . . . . 3.85 111.115 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.84 125.28 5.98 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.651 2.234 . . . . 3.29 112.228 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.583 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.7 p -137.04 176.5 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.254 -0.43 . . . . 2.72 110.604 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 31' ' ' VAL . 35.4 m-20 -89.52 98.61 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 2.44 110.662 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 3.4 mp -82.7 140.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.95 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' HG23 ' A' ' 37' ' ' THR . 4.5 m-20 -108.73 129.42 55.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 1.53 110.662 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -67.3 -10.06 47.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 2.28 110.634 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -90.43 -40.85 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.65 . . . . 4.16 110.969 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 34' ' ' ASP . 13.9 t -74.06 -21.79 59.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 2.26 110.969 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.08 129.82 43.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 1.59 110.897 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.21 151.54 23.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 4.1 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' HB3' ' HB3' ' A' ' 260' ' ' LYS . 38.4 p90 -90.49 131.79 36.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 4.34 110.785 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.03 100.32 19.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 3.04 111.113 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.79 21.88 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.45 2.1 . . . . 2.51 112.749 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -68.49 -45.51 72.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.458 -0.337 . . . . 3.54 110.732 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.17 96.4 6.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 3.49 110.617 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -108.48 149.72 39.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 4.66 111.212 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.88 126.49 18.99 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.332 2.022 . . . . 2.89 111.665 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.9 tp -139.79 -62.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 5.61 111.576 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.407 ' HG ' ' HD3' ' A' ' 80' ' ' LYS . 78.3 p -129.9 120.31 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 3.01 111.37 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.72 135.82 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 2.88 110.778 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.508 ' HB2' HG12 ' A' ' 78' ' ' VAL . 51.1 m -113.41 144.11 43.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 2.94 110.952 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -175.04 34.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.991 -0.549 . . . . 5.23 110.919 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -89.76 -25.41 21.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 4.17 110.21 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -101.08 -3.91 28.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 5.15 110.679 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -50.53 120.22 4.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.345 -0.389 . . . . 2.19 110.741 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.0 m -159.85 144.05 14.67 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.345 . . . . 2.31 111.538 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -87.14 163.6 16.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 2.24 110.412 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.23 -39.33 2.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.608 -0.269 . . . . 4.0 111.681 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' HG3' ' HA ' ' A' ' 174' ' ' ASP . 40.9 ttp180 -173.37 152.2 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.871 0.367 . . . . 5.17 111.385 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.44 HG12 HG11 ' A' ' 68' ' ' VAL . 35.9 mt -112.72 104.43 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 2.2 110.631 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.511 HD23 ' HE ' ' A' ' 58' ' ' ARG . 2.9 mm? -99.87 153.31 19.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 3.06 111.153 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.99 161.44 20.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 2.16 110.522 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -106.55 23.68 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 3.54 111.683 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 14.34 73.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.31 -0.948 . . . . 2.67 112.002 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.07 -55.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.711 0.291 . . . . 5.03 110.776 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.89 163.48 16.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.245 -0.434 . . . . 2.49 110.804 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -120.34 133.47 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 3.96 111.193 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -133.67 153.26 51.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.103 -0.499 . . . . 3.14 110.652 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG11 HG12 ' A' ' 59' ' ' ILE . 3.6 m -115.58 108.65 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 2.51 111.442 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.94 145.31 27.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 3.84 111.166 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.36 172.15 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 4.98 110.882 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.03 107.77 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 3.04 111.056 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -107.3 3.43 25.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 3.88 110.648 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 -44.28 83.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.039 -0.528 . . . . 3.52 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -127.42 -166.16 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 4.49 110.88 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -58.49 138.92 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 2.84 110.867 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.717 ' HZ2' ' HB3' ' A' ' 76' ' ' LYS . 7.1 ttpm? -142.58 -76.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 3.74 111.13 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' A' ' 54' ' ' ALA . . . -156.54 122.39 4.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 1.97 111.332 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 50' ' ' SER . 11.5 p -117.42 152.05 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 2.27 110.855 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -133.89 132.61 40.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 2.78 111.361 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 87' ' ' THR . 14.8 ptmm? -159.38 150.6 19.94 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.312 -0.404 . . . . 3.11 110.559 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.63 156.35 26.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.582 -0.818 . . . . 2.5 112.754 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.9 -158.28 6.53 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.748 -0.739 . . . . 2.96 112.628 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.12 2.1 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.481 2.12 . . . . 4.5 112.16 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 112.82 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 3.36 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.42 -15.37 37.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 5.04 110.778 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.91 83.67 1.52 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.902 -0.666 . . . . 2.03 112.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 80' ' ' LYS . 40.1 p -68.25 156.07 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 2.23 111.404 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.98 128.62 46.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 3.57 110.722 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -103.32 153.88 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 4.36 111.157 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 90' ' ' LEU . 6.8 mp -90.0 122.72 33.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.289 -0.414 . . . . 3.01 110.342 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -98.86 -70.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.549 -0.296 . . . . 2.89 111.411 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.428 ' HG2' HG23 ' A' ' 91' ' ' ILE . 3.9 pt20 -159.17 169.67 23.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.599 -0.273 . . . . 3.0 111.012 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 37.7 p90 -158.14 162.3 37.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 1.76 111.268 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.533 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.9 p-80 -135.86 163.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 1.36 110.48 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -111.41 145.6 38.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.866 0.365 . . . . 3.9 111.574 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -104.07 160.73 14.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.051 -0.522 . . . . 2.17 110.204 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.42 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 97.2 m95 -144.15 89.9 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 6.63 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.509 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -52.47 164.08 1.7 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.026 -0.607 . . . . 3.04 112.677 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.474 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 44.0 t -82.83 -28.73 29.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 4.64 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.1 137.97 31.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 5.7 110.919 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.45 20.54 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 5.38 110.668 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.01 -40.4 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.824 -0.703 . . . . 4.71 112.369 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -166.43 172.05 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 5.24 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 2.08 112.451 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.6 p -152.18 147.81 26.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 2.22 110.989 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.4 124.88 24.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 2.64 110.732 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 60.92 173.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 2.79 110.885 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' ' 32' ' ' ASP . 1.1 t -164.68 120.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 2.38 111.315 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 34.5 m -102.92 159.3 4.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.411 . . . . 2.7 111.68 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 t70 56.15 30.72 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.664 . . . . 2.18 111.016 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 55.61 24.85 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 3.86 111.401 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -126.19 116.93 22.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 4.34 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HZ2' ' HB2' ' A' ' 247' ' ' ALA . 40.8 ttmt -102.99 152.35 21.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 3.01 110.962 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.14 164.79 11.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.48 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.0 -14.26 58.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.089 -0.505 . . . . 2.1 111.536 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.81 169.47 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 1.99 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -152.69 147.8 26.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 2.4 110.79 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 148.12 23.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 2.52 110.93 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.533 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.8 m170 -107.2 108.92 20.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 1.93 111.285 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 3.0 mp -102.4 143.64 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.734 0.302 . . . . 2.98 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.0 140.71 34.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 2.44 111.496 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 15.2 m-70 -127.31 156.83 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 3.2 110.261 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.467 ' HE1' ' HB1' ' A' ' 133' ' ' ALA . 27.8 t90 -165.03 134.76 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.084 0.469 . . . . 4.68 111.153 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -78.68 128.18 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 2.56 110.76 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.1 t -73.44 -15.02 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.19 111.804 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -54.91 -25.44 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 4.02 111.201 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.68 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 95.2 m-85 -85.95 -30.03 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 4.5 111.194 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.13 -24.6 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 2.38 112.75 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.2 m-20 -142.33 163.58 32.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.882 0.372 . . . . 3.07 111.221 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -23.23 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 3.61 110.998 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.05 -27.61 72.78 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.602 -0.809 . . . . 2.51 112.367 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -90.06 -32.7 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 4.04 110.738 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB1' ' HE1' ' A' ' 123' ' ' TRP . . . -62.74 -42.57 99.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 2.12 111.148 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.71 -13.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.923 -0.58 . . . . 2.79 111.629 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.545 ' HA ' HE21 ' A' ' 135' ' ' GLN . 0.1 OUTLIER -72.26 -10.37 59.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 4.15 110.734 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.549 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 33.3 tt0 -135.3 130.97 19.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 3.37 110.669 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 37.4 Cg_exo -61.2 -24.09 78.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.603 2.202 . . . . 2.89 112.189 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.549 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 6.2 m-20 -100.34 10.77 40.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 2.64 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.68 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -57.77 -55.33 31.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 1.75 112.858 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 122' ' ' HIS . 0.7 OUTLIER -126.96 155.76 42.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 2.23 110.634 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.2 165.26 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 1.5 111.281 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 209' ' ' ILE . 60.0 t -125.16 108.26 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 1.88 110.753 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.456 HD22 HD21 ' A' ' 120' ' ' LEU . 61.6 tp -85.47 141.61 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 2.67 111.322 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.87 128.57 5.71 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.815 -0.629 . . . . 1.4 112.25 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 51.3 mt -130.55 140.67 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.3 . . . . 2.06 111.044 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.74 175.98 7.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 5.19 110.753 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.69 176.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 3.73 111.104 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -128.07 143.39 51.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 4.63 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.03 122.56 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 3.58 110.782 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 218' ' ' SER . . . -53.97 107.22 0.6 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.041 -0.6 . . . . 3.15 113.008 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.1 p -172.22 42.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.767 0.318 . . . . 4.35 111.21 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 217' ' ' VAL . . . -84.86 -164.87 1.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.409 -0.36 . . . . 4.28 111.073 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.69 155.97 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 5.57 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -78.24 -2.63 12.69 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.45 2.1 . . . . 3.3 111.867 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -122.73 29.05 5.52 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.878 -0.677 . . . . 2.71 112.615 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 221' ' ' GLN . 19.1 tp -72.67 6.96 2.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 4.34 110.946 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -53.69 -22.72 9.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 4.04 110.959 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -54.24 -36.33 63.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.515 . . . . 5.16 111.022 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 36.6 t -84.5 -28.56 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 3.48 111.333 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.38 -28.63 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 3.6 111.049 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -85.07 -27.86 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 3.01 110.876 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.1 t -60.5 -43.83 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 3.02 111.221 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -30.43 71.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 2.72 111.09 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.53 -12.48 22.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 2.42 110.642 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.9 t -86.4 -30.89 21.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 2.22 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 2.9 mp -108.67 51.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 3.02 110.735 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -50.95 -41.96 59.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 4.14 110.625 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.7 p -128.15 148.88 50.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 2.82 111.081 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.7 OUTLIER -65.73 148.14 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 3.97 111.14 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.6 -20.89 19.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.961 -0.637 . . . . 2.38 112.435 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -93.71 175.73 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 3.72 110.807 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 79.7 p -126.59 163.07 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 2.54 111.031 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -163.0 124.55 2.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 2.36 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . 0.512 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 7.9 m-20 -69.07 143.03 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 3.74 111.089 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -156.05 108.42 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 5.29 110.645 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 12.9 t -130.66 -177.37 4.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 5.01 110.95 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.03 50.32 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 7.01 111.09 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -112.58 142.15 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 5.44 110.688 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -143.15 91.75 6.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 3.92 111.292 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.76 -48.45 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.279 1.986 . . . . 5.03 112.31 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.02 -7.32 49.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 9.4 111.093 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.55 29.93 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.786 -0.721 . . . . 3.43 112.577 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.59 -20.27 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.658 0.266 . . . . 6.25 111.004 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 90.8 mt -73.8 137.36 76.76 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.47 -0.332 . . . . 5.0 110.809 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 25.3 Cg_exo -62.58 132.78 39.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.46 2.107 . . . . 4.45 112.406 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -20.32 42.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.465 . . . . 6.38 111.135 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.0 m -107.09 89.83 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 5.39 111.026 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.483 HD23 ' HZ3' ' A' ' 212' ' ' LYS . 11.3 mt -154.07 169.37 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 4.68 111.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 12.3 m-20 -76.11 167.34 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 3.78 110.594 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -142.1 175.61 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 3.57 110.886 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.516 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.2 m-90 -140.71 140.57 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 4.84 110.07 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.5 t -138.26 163.82 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 2.03 111.559 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -159.88 87.13 1.99 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 3.02 110.635 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.546 ' HA ' HG21 ' A' ' 207' ' ' THR . 53.5 Cg_exo -53.67 129.55 34.49 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.485 2.123 . . . . 1.7 112.422 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 162.84 -157.0 28.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.861 -0.685 . . . . 1.85 112.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 64.3 m -127.37 174.26 9.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 2.97 110.84 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.69 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 6.37 110.739 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 70.0 p -82.67 18.22 1.6 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.258 0.551 . . . . 5.44 110.191 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 1.3 t -153.27 142.14 14.42 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-N 115.395 -0.82 . . . . 5.31 110.379 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.14 122.99 8.88 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.882 1.721 . . . . 6.09 112.439 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -97.81 -6.9 0.86 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.146 2.564 . . . . 6.63 112.425 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 62.1 19.52 10.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.904 -0.589 . . . . 5.85 110.348 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 63.2 mt -136.41 123.69 21.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 5.45 110.73 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . 0.425 ' N ' HD12 ' A' ' 22' ' ' ILE . 7.5 tp10 -90.21 17.67 6.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.373 0.606 . . . . 3.98 109.837 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 79.3 m -93.08 19.45 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.378 -0.828 . . . . 3.13 110.74 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.39 115.31 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 2.42 111.512 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.546 HG21 ' HA ' ' A' ' 194' ' ' PRO . 35.3 m -112.97 140.81 47.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 1.8 110.268 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -91.23 108.69 20.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.84 0.352 . . . . 3.11 110.979 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 142' ' ' VAL . 0.3 OUTLIER -101.62 160.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 2.13 110.539 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 43.8 t -133.41 103.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.73 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.13 162.09 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 4.37 110.594 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.483 ' HZ3' HD23 ' A' ' 188' ' ' LEU . 22.6 tptm -62.41 -55.15 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 6.2 110.995 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.16 149.99 26.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 5.91 110.87 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.73 170.17 20.94 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.632 2.221 . . . . 4.22 112.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . 0.446 ' H ' HD13 ' A' ' 215' ' ' ILE . 4.5 mp -73.52 134.85 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.247 -0.433 . . . . 4.88 110.665 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 78.7 p -68.29 104.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 3.8 111.421 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.504 ' HA ' ' HB1' ' A' ' 152' ' ' ALA . 57.9 t -133.24 136.69 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 3.0 110.59 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.443 ' HB2' ' HG2' ' A' ' 221' ' ' GLN . 74.0 m -73.06 147.84 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 3.66 110.926 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.3 p -80.98 -22.49 39.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 3.12 111.583 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.94 -26.66 57.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 4.51 111.029 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.517 ' HG3' HD23 ' A' ' 156' ' ' LEU . 24.5 mm-40 -75.93 -26.47 56.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 4.63 110.834 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 27.1 m -96.59 -3.29 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 2.92 111.224 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.23 -40.59 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 3.21 110.09 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -76.03 -23.48 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 4.23 110.376 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -69.05 -23.27 64.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 4.01 110.8 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -77.02 -10.87 59.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 5.4 111.162 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -74.53 -5.66 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 3.8 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.39 162.44 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 3.46 110.989 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -110.89 147.0 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 3.16 110.787 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -52.05 -40.61 61.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 6.2 110.292 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -124.6 140.32 53.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 4.89 110.854 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -88.23 -160.06 35.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.825 -0.702 . . . . 4.09 112.273 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -50.61 150.86 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 7.57 111.269 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 87.76 1.72 82.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.971 -0.633 . . . . 6.57 112.524 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 157.36 72.6 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.449 0.166 . . . . 5.7 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.47 158.82 50.84 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.426 2.084 . . . . 7.04 112.261 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.65 124.77 19.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 6.78 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -143.57 156.24 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 5.03 111.157 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.69 130.87 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 5.59 110.463 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 52.7 ttp -67.96 80.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 5.6 110.714 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 29.8 m -141.73 -171.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.901 -0.59 . . . . 3.98 111.185 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 73.29 48.19 0.17 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.031 -0.532 . . . . 3.67 110.957 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.509 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 37.6 m-80 -129.81 37.13 3.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 4.18 110.923 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -105.47 155.46 19.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 3.85 110.84 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 35.7 mmt180 -139.27 131.55 15.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 4.15 111.368 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 15.5 Cg_exo -68.33 173.09 10.15 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.557 2.171 . . . . 2.75 111.877 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . 0.407 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . . . -166.76 41.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.376 . . . . 3.18 111.171 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.21 145.2 57.64 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.465 . . . . 5.96 110.87 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -83.24 123.62 3.53 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.448 2.098 . . . . 4.47 112.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.03 -49.1 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 4.44 110.846 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -173.13 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 7.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -151.5 170.32 19.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 5.62 110.844 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -169.85 138.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 6.22 111.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -104.03 119.5 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 3.56 110.54 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.425 ' N ' HD13 ' A' ' 255' ' ' ILE . 4.1 mp -109.11 123.84 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.395 -0.366 . . . . 2.59 111.189 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . 0.413 ' NZ ' HH22 ' A' ' 27' ' ' ARG . 61.7 mttp -97.97 100.8 12.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 3.38 110.737 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -113.29 168.62 9.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.425 . . . . 1.68 111.311 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 30.1 t -69.48 -37.16 77.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 2.4 110.432 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 87.5 t80 -112.01 144.45 41.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 3.83 110.902 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 40' ' ' TYR . 15.3 ptpt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.143 -0.932 . . . . 4.92 111.344 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 0.403 ' O3 ' ' N2 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.87 0.367 . . . . 33.06 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -153.23 -44.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.208 -0.451 . . . . 30.18 111.176 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -122.99 -32.68 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 30.03 111.072 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -137.72 119.43 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 27.02 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -145.91 170.46 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 25.84 110.918 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.7 7.92 52.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.829 -0.7 . . . . 23.39 112.811 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 57.12 -173.17 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.858 0.361 . . . . 23.38 111.053 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.69 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.655 -0.783 . . . . 19.99 112.637 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' HB3' ' HZ1' ' A' ' 9' ' ' LYS . 6.6 ttpm? -79.65 -34.76 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 19.51 110.703 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -88.73 -24.59 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 18.49 110.651 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -95.32 -11.67 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 18.8 110.722 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.7 -175.36 41.04 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.758 -0.734 . . . . 16.54 112.531 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.0 117.13 4.27 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.662 2.241 . . . . 16.15 112.533 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -116.39 179.53 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 15.32 110.585 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 m80 57.01 89.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.231 -0.44 . . . . 16.15 111.254 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -71.16 -15.28 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 11.77 111.127 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -86.37 -30.42 22.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 13.21 111.114 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -80.98 -20.26 42.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 16.22 110.639 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.31 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 12.96 110.941 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.38 135.24 21.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 10.55 111.113 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -78.67 19.36 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.366 2.044 . . . . 10.34 112.116 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' HB ' ' HB3' ' A' ' 201' ' ' PRO . 59.4 mt -73.03 -36.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.007 -0.542 . . . . 8.43 110.823 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.41 -37.21 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 9.55 110.563 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.58 -10.28 59.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 13.54 110.567 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.03 99.71 0.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.846 -0.692 . . . . 8.88 112.401 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.82 83.85 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 8.92 110.991 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -120.57 13.06 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 10.3 111.172 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.48 -37.41 25.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 6.98 110.65 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -84.79 150.41 55.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 3.85 110.555 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HB2' ' O ' ' A' ' 246' ' ' PRO . 43.1 Cg_exo -56.51 129.31 34.02 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.461 2.107 . . . . 3.29 112.154 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 32' ' ' ASP . 20.2 t -120.44 165.65 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.157 -0.474 . . . . 2.72 110.631 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 31' ' ' VAL . 18.8 t70 -86.6 98.64 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 2.44 110.856 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.53 ' HB ' HG12 ' A' ' 109' ' ' VAL . 2.5 mp -83.17 142.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.95 110.88 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HB2' HG21 ' A' ' 37' ' ' THR . 11.8 m-20 -113.11 129.45 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 1.53 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -69.47 -8.91 51.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 2.28 111.236 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -89.96 -40.86 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 4.16 110.997 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.519 HG21 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -74.12 -17.08 60.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.303 -0.408 . . . . 2.26 110.978 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 157.53 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 1.59 110.886 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -133.12 147.93 52.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.864 0.364 . . . . 4.1 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.528 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 84.2 t80 -74.54 98.87 3.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.536 . . . . 4.34 110.644 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 102.76 49.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 3.04 111.023 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.84 20.69 0.86 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.383 2.055 . . . . 2.51 112.394 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.2 p -59.48 -45.88 90.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.398 -0.365 . . . . 3.54 110.802 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -119.18 99.11 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 3.49 110.541 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.15 147.51 35.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 4.66 110.47 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.16 125.65 19.6 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.182 1.922 . . . . 2.89 111.563 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.0 tp -117.25 -57.68 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.501 -0.318 . . . . 5.61 110.982 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.9 p -135.31 142.03 45.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.432 -0.349 . . . . 3.01 111.221 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -151.87 114.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.037 -0.529 . . . . 2.88 111.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -109.26 146.57 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 2.94 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -176.3 34.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 5.23 110.781 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -91.97 -21.92 20.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 4.17 110.861 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -108.59 -0.52 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 5.15 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.83 120.71 6.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 2.19 110.966 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -146.25 143.37 29.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.962 0.41 . . . . 2.31 111.717 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.1 p -99.75 165.05 11.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.956 -0.565 . . . . 2.24 110.572 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 71' ' ' ASP . 4.2 mm? -111.29 -39.42 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 4.0 111.649 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -178.06 167.81 2.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 5.17 111.43 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 tt -124.83 123.61 66.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.874 -0.603 . . . . 2.2 110.624 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -113.22 150.56 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 3.06 111.178 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' ND2' HG22 ' A' ' 166' ' ' ILE . 19.8 m-80 -116.92 148.84 41.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.015 -0.538 . . . . 2.16 110.495 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -106.84 23.27 14.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.362 -0.381 . . . . 3.54 111.501 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.95 14.4 62.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.313 -0.946 . . . . 2.67 112.45 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 56.1 t60 -176.05 -61.78 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.747 0.308 . . . . 5.03 110.893 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.6 149.48 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 2.49 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -123.68 135.14 53.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 3.96 111.142 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -130.24 148.43 52.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 3.14 110.717 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -96.48 145.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 2.51 110.785 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.609 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 43.1 tt0 -120.34 117.42 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 3.84 111.064 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.89 171.21 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 4.98 110.571 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' HB2' HD22 ' A' ' 57' ' ' LEU . 22.6 t70 -72.88 122.2 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 3.04 110.636 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.94 -11.78 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 3.88 110.711 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.5 t -64.26 -24.15 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 3.52 111.058 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -152.6 154.09 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 4.49 110.769 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.95 121.98 31.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.252 -0.431 . . . . 2.84 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 4.1 mptp? -94.79 -76.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 3.74 111.087 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.74 135.27 36.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 1.97 111.213 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.14 156.0 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 2.27 110.748 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.93 155.73 46.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 2.78 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -159.37 140.46 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 3.11 110.819 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.44 176.96 50.14 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.803 -0.713 . . . . 2.5 112.385 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.12 -77.39 0.18 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.543 -0.837 . . . . 2.96 112.417 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.28 -7.31 17.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.458 2.106 . . . . 4.5 112.11 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.45 115.59 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 3.36 110.754 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -102.16 49.78 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.057 0.456 . . . . 5.04 110.731 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.7 85.71 0.23 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.906 -0.664 . . . . 2.03 112.422 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -55.68 152.66 9.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.653 0.263 . . . . 2.23 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 81.8 m-85 -125.12 131.38 53.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 3.57 111.33 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -103.77 129.84 51.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 4.36 110.792 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.595 ' HB2' HD13 ' A' ' 120' ' ' LEU . 2.0 pt? -84.15 142.32 30.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.649 0.261 . . . . 3.01 110.361 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.562 HG23 ' HG3' ' A' ' 92' ' ' GLN . 4.1 mp -111.84 -71.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 111.896 0.332 . . . . 2.89 111.896 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.609 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 52.2 mt-30 -149.16 166.7 28.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.573 0.225 . . . . 3.0 111.054 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -158.3 154.74 27.62 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.237 0.541 . . . . 1.76 111.81 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -129.78 169.87 14.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.36 -0.836 . . . . 1.36 110.098 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -109.91 138.06 46.82 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.032 0.444 . . . . 3.9 112.063 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -95.2 164.05 13.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.798 -0.637 . . . . 2.17 109.631 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -142.8 145.17 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 6.63 111.248 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -118.4 161.88 13.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.23 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 t -68.9 -30.83 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 4.64 110.817 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.77 141.41 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 5.7 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.49 5.33 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 5.38 111.089 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.68 -15.65 4.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 4.71 112.471 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 113' ' ' LYS . 21.8 pt20 -164.58 164.9 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 5.24 111.112 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.33 85.2 0.55 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.899 -0.667 . . . . 2.08 112.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.0 t -155.18 -79.55 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.67 0.271 . . . . 2.22 111.053 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 47.6 mt-10 -148.26 -99.9 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.425 -0.352 . . . . 2.64 111.85 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.97 176.33 2.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.94 0.4 . . . . 2.79 111.579 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 113' ' ' LYS . 95.9 m -141.79 86.06 1.97 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.941 -0.572 . . . . 2.38 110.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.53 HG12 ' HB ' ' A' ' 33' ' ' ILE . 19.8 m -89.32 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 2.7 111.165 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.87 35.39 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 2.18 110.592 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.9 mttp 58.82 14.64 3.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 3.86 111.015 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -124.3 116.46 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 4.34 110.623 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.523 ' N ' HG22 ' A' ' 108' ' ' THR . 40.1 ttmt -71.67 144.65 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 3.01 111.303 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.495 ' HH ' HG23 ' A' ' 109' ' ' VAL . 69.6 m-85 -70.0 137.7 51.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 2.48 109.987 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.96 -25.2 37.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 2.1 111.287 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.5 145.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 1.99 110.603 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -143.96 155.22 43.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 2.4 111.085 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.61 140.52 33.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 2.52 110.943 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 94.97 8.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 1.93 109.891 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 90' ' ' LEU . 41.2 tp -107.41 103.38 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 2.98 110.714 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.09 115.35 32.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 2.44 111.019 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.536 ' NE2' ' HG ' ' A' ' 143' ' ' LEU . 7.7 p80 -131.6 143.56 50.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.983 -0.553 . . . . 3.2 110.264 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -147.57 171.7 15.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.398 . . . . 4.68 111.275 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.4 HD21 ' HE2' ' A' ' 126' ' ' LYS . 2.3 m-20 -54.33 112.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 2.56 110.814 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -78.92 -15.02 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 2.19 111.631 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.4 ' HE2' HD21 ' A' ' 124' ' ' ASN . 56.7 pttt -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 4.02 111.036 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.402 ' HB3' ' HB2' ' A' ' 132' ' ' LYS . 56.0 m-85 -81.9 -29.13 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 4.5 110.849 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.95 56.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 2.38 112.347 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.93 143.8 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 3.07 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -75.02 -28.8 60.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 3.61 110.663 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.31 -22.28 70.95 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 2.51 112.052 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 127' ' ' TYR . 46.6 mmtm -90.5 -38.57 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 4.04 110.72 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 2.12 111.83 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.2 m -70.63 2.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 2.79 111.824 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -72.22 -13.77 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 4.15 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.44 155.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.008 -0.542 . . . . 3.37 110.505 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.04 -16.39 32.57 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.53 2.153 . . . . 2.89 112.135 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -115.26 -12.68 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 2.64 110.838 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.17 -95.27 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.04 -0.6 . . . . 1.75 112.52 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.43 163.38 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.656 0.265 . . . . 2.23 110.355 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 209' ' ' ILE . . . -122.74 164.91 17.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.923 0.392 . . . . 1.5 111.529 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.62 145.06 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 1.88 110.499 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.536 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 74.0 mt -104.44 144.12 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 2.67 111.061 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -98.98 116.49 5.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 1.4 112.367 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.404 HD13 HD13 ' A' ' 211' ' ' LEU . 32.5 mm -124.2 144.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.398 0.142 . . . . 2.06 111.093 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.4 t80 79.84 -61.25 0.3 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.735 0.647 . . . . 5.19 110.65 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.8 mt 55.93 -88.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 3.73 111.994 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.39 158.45 21.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.63 110.692 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.9 153.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 3.58 111.089 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.58 141.64 4.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 3.15 112.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.6 m 58.51 75.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 4.35 110.715 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 217' ' ' VAL . . . -61.03 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.058 -0.519 . . . . 4.28 111.684 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 19.4 pttm -56.38 136.06 76.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 5.57 111.362 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 7.9 Cg_exo -73.1 11.15 0.97 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.688 2.259 . . . . 3.3 111.94 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 153' ' ' LYS . . . 130.16 64.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.067 -0.587 . . . . 2.71 112.11 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 159' ' ' VAL . 80.9 mt -129.36 26.68 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 4.34 110.923 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -54.67 -21.42 10.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 4.04 111.368 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.673 ' HZ1' ' HB3' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -58.07 -33.1 68.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 5.16 111.112 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 156' ' ' LEU . 5.9 p -65.88 -25.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.369 -0.378 . . . . 3.48 110.866 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.75 -26.35 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 3.6 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.97 -54.75 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 3.01 110.467 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.91 -27.07 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 3.02 110.807 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -32.34 71.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 2.72 110.939 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.65 -12.55 4.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 2.42 110.784 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -69.92 -7.05 37.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.125 -0.489 . . . . 2.22 111.04 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.506 HG22 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -125.05 51.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 3.02 110.551 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.432 ' HD2' HD12 ' A' ' 228' ' ' LEU . 58.8 tptt -50.52 -42.29 54.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.973 -0.558 . . . . 4.14 110.648 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.65 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 73.0 p -105.27 144.88 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 2.82 110.74 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -79.68 143.45 34.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.961 0.41 . . . . 3.97 111.026 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -10.02 26.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.958 -0.639 . . . . 2.38 112.694 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -95.51 175.83 6.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.785 0.326 . . . . 3.72 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 83.9 p -122.88 165.94 15.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.514 . . . . 2.54 110.993 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.21 148.87 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 2.36 110.885 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.61 148.42 25.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 3.74 111.079 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -156.25 105.43 2.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 5.29 110.955 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.7 t -123.75 -179.96 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 5.01 110.863 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.3 m120 61.2 56.83 2.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.183 -0.462 . . . . 7.01 110.983 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.95 146.56 54.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 5.44 110.626 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.76 113.15 54.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 3.92 110.971 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.12 -9.93 17.85 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.073 . . . . 5.03 112.7 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -74.46 -14.47 60.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.371 . . . . 9.4 110.756 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -83.95 -3.78 88.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.651 -0.785 . . . . 3.43 112.343 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 79.6 mt -114.59 11.92 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.587 0.232 . . . . 6.25 111.027 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.7 137.97 77.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 5.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.57 129.95 8.62 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.514 2.143 . . . . 4.45 112.269 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -79.54 -32.5 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 6.38 110.981 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 36.2 t -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 5.39 111.057 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.6 mt -91.38 46.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 4.68 111.001 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 13.2 m-20 -147.72 160.88 42.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 3.78 110.751 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.6 175.98 5.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 3.57 110.617 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.509 ' HA ' ' HB3' ' A' ' 257' ' ' ALA . 3.4 m-90 -118.27 164.77 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 4.84 110.481 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 257' ' ' ALA . 11.8 t -138.48 169.22 18.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.85 0.357 . . . . 2.03 111.335 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -154.45 87.72 3.46 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 3.02 110.683 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.622 ' HA ' HG21 ' A' ' 207' ' ' THR . 38.1 Cg_endo -65.4 127.96 19.29 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.494 2.129 . . . . 1.7 112.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -163.45 -138.48 2.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.825 -0.702 . . . . 1.85 112.257 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 204' ' ' GLU . 83.4 p -157.29 -175.67 5.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.546 0.213 . . . . 2.97 110.557 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.48 170.04 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.394 . . . . 6.37 111.215 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 5.1 m -85.95 5.6 32.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 5.44 110.449 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.524 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 17.4 p -95.74 164.36 19.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 5.31 110.551 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.524 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 78.1 Cg_exo -39.78 150.98 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.636 2.224 . . . . 6.09 112.44 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . 0.448 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 53.1 Cg_exo -52.79 94.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.42 2.08 . . . . 6.63 112.667 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 94.1 mt -111.1 -44.61 3.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.987 -0.551 . . . . 5.85 110.763 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.58 144.43 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.216 0.531 . . . . 5.45 111.423 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 196' ' ' SER . 30.0 tt0 -101.85 23.61 11.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.524 0.678 . . . . 3.98 109.246 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 87.1 m -86.32 30.33 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.006 -0.997 . . . . 3.13 111.138 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.74 110.52 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 2.42 111.098 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.622 HG21 ' HA ' ' A' ' 194' ' ' PRO . 47.3 m -113.12 143.57 44.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 1.8 111.327 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -111.65 115.28 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 3.11 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' ' 141' ' ' ALA . 2.6 mp -101.99 142.32 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.13 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.95 132.47 70.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 2.73 111.221 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.404 HD13 HD13 ' A' ' 145' ' ' ILE . 91.5 mt -68.99 165.4 20.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 4.37 111.335 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -74.28 -55.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 6.2 111.34 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.17 75.33 11.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 5.91 110.875 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.17 173.59 14.26 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.578 2.185 . . . . 4.22 112.362 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 7.1 tp -66.39 133.72 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 4.88 111.093 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 80.3 p -137.1 172.92 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 3.8 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.441 ' HA ' ' HA ' ' A' ' 152' ' ' ALA . 46.7 t -127.31 137.85 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 3.0 111.042 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 43.2 t -71.42 148.07 47.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.17 -0.468 . . . . 3.66 111.057 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.8 m -68.73 -15.36 63.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 3.12 111.064 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.21 -40.54 90.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.918 0.39 . . . . 4.51 110.508 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -76.98 -17.47 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 4.63 110.715 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 51.6 t -79.58 -22.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 2.92 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.08 -33.21 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 3.21 110.748 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.25 -30.93 25.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.932 -0.577 . . . . 4.23 111.161 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -70.03 -15.75 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 4.01 110.814 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -67.08 -15.11 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 5.4 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -69.13 -28.52 66.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 3.8 110.799 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.432 HD12 ' HD2' ' A' ' 167' ' ' LYS . 3.9 mm? -63.64 158.02 22.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 3.46 110.74 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -88.13 144.41 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 3.16 110.82 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 46.8 p90 -95.8 3.42 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 6.2 111.163 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -175.07 68.08 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 4.89 111.119 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . 0.65 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . 61.69 173.04 1.33 Allowed Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.908 -0.663 . . . . 4.09 112.856 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 157.05 38.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 7.57 110.983 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 97.29 11.41 52.1 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.781 -0.723 . . . . 6.57 112.253 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 236' ' ' PRO . 17.1 mm-40 -127.4 137.53 30.88 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.4 0.143 . . . . 5.7 110.904 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 235' ' ' GLU . 35.0 Cg_exo -60.23 130.26 33.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.467 2.112 . . . . 7.04 111.964 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.37 119.99 3.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 6.78 110.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -152.8 149.6 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 5.03 110.764 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.98 146.92 45.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 5.59 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 58.2 mtm -82.11 41.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 5.6 111.385 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.06 132.98 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 3.98 110.967 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.2 t70 179.51 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 3.67 110.63 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -88.71 38.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 4.18 111.547 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . 0.427 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 63.3 p-90 -97.26 149.52 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 3.85 110.389 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.643 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 31.5 mtp180 -140.74 146.05 42.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 4.15 111.201 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 30' ' ' PRO . 95.0 Cg_endo -85.37 171.79 8.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.711 2.274 . . . . 2.75 111.751 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.91 45.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 3.18 111.121 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -55.7 140.43 67.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 5.96 110.94 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.65 126.06 7.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.373 2.049 . . . . 4.47 112.455 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 60.8 tp -77.56 -48.74 16.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 4.44 110.593 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -165.73 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 7.2 110.835 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -173.98 163.36 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.62 111.16 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -175.42 149.06 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 6.22 110.499 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -102.3 125.25 48.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.036 0.446 . . . . 3.56 110.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.489 HG12 HG23 ' A' ' 33' ' ' ILE . 1.1 pp -116.42 145.84 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 2.59 111.397 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -91.66 156.91 17.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 3.38 110.668 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.609 ' HA ' HG23 ' A' ' 192' ' ' THR . . . -163.87 147.66 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.68 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.3 t -63.46 -22.21 66.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.095 0.474 . . . . 2.4 110.092 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.488 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 85.1 t80 -112.01 161.45 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.56 -0.746 . . . . 3.83 110.293 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 67.1 mttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.134 -0.936 . . . . 4.92 111.251 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.394 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.716 0.293 . . . . 33.06 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -131.93 146.94 52.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 30.18 110.999 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -130.89 -0.5 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 30.03 110.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' HE2' ' HB2' ' A' ' 7' ' ' TYR . 26.4 t60 -141.21 100.12 3.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.029 -0.532 . . . . 27.02 110.782 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -129.62 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 25.84 110.693 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.88 -15.2 10.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.808 -0.711 . . . . 23.39 112.277 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.452 ' HB2' ' HE2' ' A' ' 4' ' ' HIS . 93.1 m-85 -131.48 -179.77 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 23.38 110.688 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.1 74.63 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.588 -0.815 . . . . 19.99 112.73 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.03 -35.51 42.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 19.51 110.65 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -74.92 -11.6 60.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 18.49 110.684 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.21 -13.5 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 18.8 110.624 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.68 166.67 13.82 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.814 -0.708 . . . . 16.54 112.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.97 150.59 38.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.536 2.157 . . . . 16.15 112.215 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.88 -174.92 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 15.32 110.896 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.9 m80 57.77 90.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.057 -0.52 . . . . 16.15 111.037 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -66.84 -18.8 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 11.77 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -70.25 -38.26 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 13.21 111.015 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -86.17 19.83 2.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 16.22 111.524 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.17 -61.82 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 12.96 111.198 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -132.25 151.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 10.55 110.688 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.72 33.44 0.48 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.528 2.152 . . . . 10.34 112.732 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mm -81.53 -51.0 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.987 0.422 . . . . 8.43 110.572 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.75 -28.8 22.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 9.55 110.656 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -86.06 -17.76 34.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.549 . . . . 13.54 110.995 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.43 89.81 0.21 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.665 -0.779 . . . . 8.88 112.749 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.96 -47.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.554 0.216 . . . . 8.92 111.238 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.599 ' HD3' ' H ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -92.48 3.12 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 10.3 110.471 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -97.65 68.27 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.857 -0.61 . . . . 6.98 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -140.04 69.41 35.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.08 -0.509 . . . . 3.85 110.881 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.84 126.99 9.8 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.716 2.277 . . . . 3.29 112.193 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 32' ' ' ASP . 35.0 t -127.53 158.89 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.26 -0.427 . . . . 2.72 110.571 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' HA ' HG21 ' A' ' 108' ' ' THR . 7.1 m-20 -92.03 98.78 11.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.375 . . . . 2.44 110.259 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 255' ' ' ILE . 3.7 mp -86.49 129.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 1.95 111.17 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -113.21 128.81 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 1.53 111.009 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -62.1 -20.85 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 2.28 111.19 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -82.97 -39.38 21.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 4.16 110.959 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 p -74.25 -14.97 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 2.26 110.866 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.97 151.26 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 1.59 110.645 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 4.2 ttmp? -146.15 149.89 34.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 4.1 111.074 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -62.05 135.57 57.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 4.34 111.006 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -122.72 95.29 46.68 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.412 . . . . 3.04 110.877 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.71 40.05 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.708 2.272 . . . . 2.51 112.653 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.91 -45.48 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 3.54 110.977 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.4 tp -169.06 95.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 3.49 110.659 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.598 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 9.7 mtmp? -89.52 155.17 48.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 4.66 110.597 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' HH ' ' A' ' 190' ' ' TYR . 14.5 Cg_endo -57.41 160.52 13.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.363 2.042 . . . . 2.89 111.838 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 tp -94.97 -65.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 5.61 110.717 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.407 ' HG ' ' HD2' ' A' ' 80' ' ' LYS . 61.0 p -136.16 151.71 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 3.01 110.965 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.61 113.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 2.88 111.475 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.456 ' HB3' HG12 ' A' ' 78' ' ' VAL . 21.3 t -113.73 147.43 38.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 2.94 110.655 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -171.49 34.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 5.23 111.083 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -88.51 -23.32 23.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 4.17 110.194 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -98.09 -2.88 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.583 -0.735 . . . . 5.15 110.555 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.27 120.57 4.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.059 -0.519 . . . . 2.19 111.256 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.583 HG23 ' H ' ' A' ' 178' ' ' PHE . 89.5 m -142.74 143.86 32.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.174 -0.466 . . . . 2.31 111.191 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -92.13 157.22 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 2.24 110.524 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -128.01 -39.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.385 . . . . 4.0 111.812 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -150.52 153.06 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 5.17 111.403 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.6 mt -132.09 104.69 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.05 -0.523 . . . . 2.2 110.805 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -113.12 153.04 28.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 3.06 110.958 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.62 HD21 ' HA ' ' A' ' 169' ' ' LYS . 46.7 m-20 -96.75 157.51 15.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.86 0.362 . . . . 2.16 111.02 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -106.52 23.49 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 3.54 111.429 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.25 81.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.373 -0.918 . . . . 2.67 112.342 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -161.88 -57.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 5.03 110.619 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.93 168.66 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 2.49 110.504 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -120.27 133.91 55.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.929 0.395 . . . . 3.96 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.86 152.4 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 3.14 110.848 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.45 147.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 2.51 110.785 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -129.06 163.37 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 3.84 110.999 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.65 167.47 10.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 4.98 111.216 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.99 122.7 18.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 3.04 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.99 -10.55 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 3.88 110.731 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -56.72 -35.83 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 3.52 110.959 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -168.01 172.52 8.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 4.49 111.178 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.3 124.23 31.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 2.84 110.814 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 71.4 mmtt -90.46 -79.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 3.74 111.398 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.53 136.55 33.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.97 111.501 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.576 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 14.9 p -110.85 148.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 2.27 110.876 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -143.26 117.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 2.78 111.18 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.407 ' HD2' ' HG ' ' A' ' 48' ' ' SER . 9.0 ptpp? -134.35 152.61 51.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.221 -0.445 . . . . 3.11 110.304 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.86 95.96 0.77 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.484 -0.865 . . . . 2.5 112.886 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.14 -147.85 40.09 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.507 -0.854 . . . . 2.96 112.459 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.81 30.6 0.44 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.596 2.197 . . . . 4.5 112.604 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.74 117.98 12.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 3.36 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 5.04 111.055 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.14 44.96 3.4 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.589 -0.815 . . . . 2.03 112.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -67.72 152.15 46.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 2.23 111.199 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -150.4 142.1 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 3.57 110.063 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HG3' ' HA ' ' A' ' 78' ' ' VAL . 3.7 mpt_? -96.84 111.63 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.991 0.425 . . . . 4.36 111.389 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 122' ' ' HIS . 20.8 tp -128.42 143.47 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 3.01 110.623 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 tp -160.03 92.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.294 0.569 . . . . 2.89 111.464 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -154.03 132.92 12.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.338 -0.846 . . . . 3.0 110.074 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -154.2 160.78 42.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.76 111.719 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.495 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.7 p-80 -123.03 167.99 12.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.722 -0.672 . . . . 1.36 110.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.39 154.4 27.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.024 0.44 . . . . 3.9 111.946 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -116.07 168.59 9.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.738 -0.665 . . . . 2.17 110.334 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -175.51 88.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 6.63 110.433 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.477 ' HA3' ' HB3' ' A' ' 244' ' ' TRP . . . -58.95 179.61 1.48 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.85 -0.69 . . . . 3.04 112.873 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.9 m -70.63 -17.93 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.715 0.293 . . . . 4.64 111.108 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.57 139.85 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 5.7 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -97.75 -4.78 36.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 5.38 111.053 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.09 -45.95 2.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 4.71 112.118 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 11.6 pt20 -172.11 149.59 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 5.24 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 2.08 112.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -90.28 156.18 18.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.529 0.204 . . . . 2.22 110.467 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -54.83 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 2.64 110.822 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -87.61 176.02 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 2.79 110.592 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.421 HG21 ' HA ' ' A' ' 32' ' ' ASP . 1.5 t -141.6 99.16 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 2.38 111.251 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.555 HG11 ' HB ' ' A' ' 33' ' ' ILE . 20.0 m -89.15 158.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 2.7 111.019 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 112' ' ' LYS . 20.5 t70 53.42 28.1 7.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 2.18 110.831 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mttp 63.64 1.2 1.0 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 3.86 111.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 110' ' ' ASP . 34.6 mmtp -106.71 149.46 27.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 4.34 110.996 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HB2' ' HZ3' ' A' ' 113' ' ' LYS . 4.4 ttmp? -111.09 150.02 29.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 3.01 110.783 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -108.44 168.05 9.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 2.48 110.923 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -84.06 -51.92 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 2.1 111.127 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.16 167.24 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.99 111.064 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -152.63 142.2 21.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 2.4 111.364 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 145' ' ' ILE . 2.9 pp -92.22 148.01 22.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.221 -0.445 . . . . 2.52 110.363 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.495 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -120.54 108.65 14.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 1.93 111.619 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.5 tt -105.56 118.69 37.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 2.98 110.109 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.8 t -95.61 147.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 2.44 111.468 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.61 ' HA ' HD21 ' A' ' 90' ' ' LEU . 83.1 t60 -131.87 148.91 52.57 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.149 -0.478 . . . . 3.2 111.147 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 14.0 p90 -163.79 151.74 12.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 4.68 110.9 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' ' 124' ' ' ASN . 10.6 m120 -83.55 150.92 25.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 2.56 111.244 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 t -82.61 -15.07 53.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 2.19 111.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -63.04 -25.45 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 4.02 110.618 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.651 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 83.0 m-85 -85.38 -13.73 48.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 4.5 110.727 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.1 -33.67 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 2.38 112.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -170.74 170.54 6.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.07 111.072 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -65.92 -20.9 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 3.61 110.982 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.57 96.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 2.51 112.526 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -86.35 -23.05 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.005 0.431 . . . . 4.04 110.444 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.27 69.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 2.12 111.002 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.18 -14.94 11.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.143 -0.481 . . . . 2.79 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.68 7.04 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 4.15 111.178 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -130.83 155.09 81.9 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 3.37 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.97 -51.53 4.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.303 2.002 . . . . 2.89 112.006 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -111.81 26.48 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 2.64 110.879 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.651 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -53.91 -51.77 47.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 1.75 112.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.84 158.52 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 2.23 110.76 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.27 159.38 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 1.5 111.138 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.9 t -119.35 109.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.88 111.057 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.504 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 3.5 mm? -86.8 107.91 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 2.67 110.738 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -101.6 117.79 5.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 1.4 112.328 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 118' ' ' LEU . 86.5 mt -113.9 138.08 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.902 0.382 . . . . 2.06 111.362 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -105.74 115.21 29.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.012 -0.54 . . . . 5.19 110.982 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.524 HD21 HD21 ' A' ' 118' ' ' LEU . 94.3 mt -64.91 151.16 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 3.73 110.947 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.488 ' HZ3' ' HA ' ' A' ' 216' ' ' SER . 23.0 pttp -112.91 134.67 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 4.63 110.524 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.58 144.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 3.58 111.213 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.72 170.35 12.72 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.827 -0.701 . . . . 3.15 112.495 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.9 m 60.11 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.898 0.38 . . . . 4.35 110.928 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.18 179.43 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.946 -0.57 . . . . 4.28 111.624 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.431 ' HZ3' ' HG3' ' A' ' 157' ' ' GLN . 25.6 ttpp -64.2 115.75 22.15 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.015 -0.539 . . . . 5.57 111.016 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.41 -6.81 15.73 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.406 2.071 . . . . 3.3 112.077 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.39 65.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.237 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.516 ' HG ' HG11 ' A' ' 159' ' ' VAL . 17.3 tp -121.48 25.9 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 4.34 110.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.431 ' HG3' ' HZ3' ' A' ' 153' ' ' LYS . 27.9 mt-30 -58.33 -21.41 49.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 4.04 110.985 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -52.14 -47.84 65.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 5.16 111.731 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 156' ' ' LEU . 13.2 p -75.89 -25.05 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 3.48 111.403 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.8 -25.8 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.6 111.035 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.33 -44.15 53.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 3.01 110.736 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.62 -21.32 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 3.02 111.181 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 164' ' ' ASP . 0.6 OUTLIER -67.23 -45.29 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 2.72 111.011 179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.411 ' N ' HD21 ' A' ' 163' ' ' LEU . 25.2 t70 -53.76 -16.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 2.42 110.71 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.2 t -83.89 -39.83 19.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.798 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.67 37.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 3.02 111.162 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -58.8 -48.88 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 4.14 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.421 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 67.7 p -95.81 148.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 2.82 111.01 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.62 ' HA ' HD21 ' A' ' 61' ' ' ASN . 3.9 mptp? -61.38 143.73 55.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 3.97 110.909 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -15.21 25.4 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.95 -0.643 . . . . 2.38 112.153 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -98.27 173.46 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 3.72 110.92 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.7 p -157.25 165.07 36.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 2.54 110.796 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.82 130.37 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 2.36 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -78.9 140.61 38.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 3.74 111.015 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -155.33 105.06 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 5.29 110.587 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.644 HG21 HD21 ' A' ' 177' ' ' ASN . 5.2 t -109.75 179.27 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 5.01 110.885 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.644 HD21 HG21 ' A' ' 176' ' ' THR . 50.3 m-80 60.9 57.0 2.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.909 0.385 . . . . 7.01 111.163 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . 0.583 ' H ' HG23 ' A' ' 55' ' ' THR . 76.7 t80 -82.07 146.75 29.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 5.44 110.481 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -115.75 84.93 13.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 3.92 111.123 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.55 -18.93 66.15 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.433 2.089 . . . . 5.03 111.992 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . 0.461 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 87.1 mtm180 -75.24 -35.11 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 9.4 110.463 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -61.19 -22.63 61.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.596 -0.812 . . . . 3.43 111.924 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 72.1 mt -118.78 1.27 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 6.25 110.839 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 32.3 tp -62.89 116.68 25.92 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 5.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.37 141.46 14.26 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.377 2.051 . . . . 4.45 112.405 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.32 -7.9 52.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 6.38 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 149.6 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 5.39 110.737 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 189' ' ' ASP . 3.4 tt -149.21 127.93 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 4.68 110.816 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.443 ' N ' HD22 ' A' ' 188' ' ' LEU . 4.5 p30 -170.51 144.33 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 3.78 110.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.527 ' HH ' ' HD2' ' A' ' 46' ' ' PRO . 39.8 p90 -144.92 141.11 28.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 3.57 111.296 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -119.43 170.21 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 4.84 110.563 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.54 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 7.0 t -145.86 153.1 40.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 2.03 111.477 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . 0.407 ' HD1' ' HG2' ' A' ' 256' ' ' LYS . 92.8 t80 -172.3 126.95 0.55 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.085 -0.507 . . . . 3.02 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.13 127.71 20.94 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.175 1.917 . . . . 1.7 111.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.431 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -96.16 156.22 21.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.85 112.929 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 36.6 m -142.49 179.52 6.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.267 -0.272 . . . . 2.97 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.739 ' HG ' ' H ' ' A' ' 199' ' ' THR . 2.5 pt? -66.89 -167.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.003 -0.279 . . . . 6.37 110.773 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 4.0 t -67.63 -30.11 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.937 0.399 . . . . 5.44 111.37 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.739 ' H ' ' HG ' ' A' ' 197' ' ' LEU . 28.6 p -89.03 165.92 24.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 5.31 110.526 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.596 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 31.3 Cg_exo -36.13 152.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.952 2.434 . . . . 6.09 113.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -40.29 104.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.096 2.531 . . . . 6.63 113.199 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.451 ' HG ' HD22 ' A' ' 203' ' ' LEU . 64.0 tp -139.66 -56.97 0.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 5.85 110.876 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.527 ' HG ' HD22 ' A' ' 197' ' ' LEU . 17.6 mt -92.42 85.27 5.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.892 0.377 . . . . 5.45 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.49 34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 3.98 111.22 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 40.7 t -85.05 -8.82 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.194 0.521 . . . . 3.13 110.187 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.16 115.12 31.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 2.42 110.912 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.431 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 16.8 m -90.95 142.09 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 1.8 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -116.78 114.71 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.447 . . . . 3.11 111.699 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.504 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 2.9 mp -102.24 146.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 2.13 109.946 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 16.9 m -130.36 136.9 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.065 0.46 . . . . 2.73 112.2 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.422 HD22 HG23 ' A' ' 109' ' ' VAL . 3.4 mm? 59.04 39.58 23.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.646 -0.706 . . . . 4.37 111.187 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.1 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.379 . . . . 6.2 110.534 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -164.69 83.04 1.22 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.22 -0.446 . . . . 5.91 110.88 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.53 151.16 64.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.617 2.212 . . . . 4.22 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.66 147.94 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.06 -0.518 . . . . 4.88 110.686 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' SER . . . . . 0.488 ' HA ' ' HZ3' ' A' ' 148' ' ' LYS . 39.2 t -83.47 107.13 15.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 3.8 111.313 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.453 HG21 HD13 ' A' ' 147' ' ' LEU . 26.5 m -144.69 144.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 3.0 110.404 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 222' ' ' VAL . 84.7 p -116.42 158.59 23.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 3.66 111.488 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 78.3 p -56.19 -27.99 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 3.12 110.595 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.55 -36.28 82.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 4.51 109.96 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -77.11 -27.09 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 4.63 110.053 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 218' ' ' SER . 14.3 t -76.35 -13.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.92 110.467 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.426 HD11 ' HD2' ' A' ' 226' ' ' ARG . 42.5 tp -62.79 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.6 . . . . 3.21 110.834 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.47 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 1.2 mptp? -85.68 -33.14 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 4.23 110.983 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -75.53 -25.86 57.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 4.01 111.358 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.426 ' HD2' HD11 ' A' ' 223' ' ' LEU . 11.3 ptp180 -81.26 -5.85 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 5.4 110.89 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 97.5 mttt -69.96 -28.61 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 3.8 110.794 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.48 162.01 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.048 -0.524 . . . . 3.46 110.781 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.89 157.45 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 3.16 110.854 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.76 -6.06 7.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 6.2 110.643 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -171.24 163.57 7.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 4.89 110.57 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . 0.421 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . -82.6 178.35 53.33 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.792 -0.718 . . . . 4.09 112.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.87 157.58 1.64 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.981 0.42 . . . . 7.57 111.447 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.95 -3.27 44.85 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.839 -0.618 . . . . 6.57 112.361 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -141.17 160.54 57.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.422 -0.214 . . . . 5.7 110.422 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -48.11 137.22 23.53 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.606 2.204 . . . . 7.04 112.324 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.66 118.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.987 -0.552 . . . . 6.78 111.058 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -144.55 150.19 37.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 5.03 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.39 145.66 25.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 5.59 110.757 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 44.8 ttm -65.75 99.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 5.6 110.83 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 242' ' ' ASP . 16.8 m -142.55 178.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 3.98 111.442 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 241' ' ' VAL . 12.8 m-20 67.72 28.19 7.33 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.9 -0.591 . . . . 3.67 110.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.51 23.45 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 4.18 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . 0.477 ' HB3' ' HA3' ' A' ' 98' ' ' GLY . 14.8 p-90 -106.26 170.73 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 3.85 110.618 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -136.88 156.62 75.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 4.15 110.719 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 172.44 1.74 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.328 2.019 . . . . 2.75 112.277 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -155.35 32.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.12 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.11 110.14 2.44 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.108 -0.497 . . . . 5.96 111.224 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.37 127.09 18.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.489 2.126 . . . . 4.47 112.104 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 250' ' ' LEU . 2.9 mm? -78.1 -48.79 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 4.44 110.604 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -170.41 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 7.2 110.73 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -165.03 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 5.62 110.762 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 61.87 151.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.053 -0.522 . . . . 6.22 111.588 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -105.52 135.23 47.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 3.56 110.533 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.557 HG21 HG23 ' A' ' 33' ' ' ILE . 8.4 tp -116.07 142.34 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 2.59 111.348 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . 0.407 ' HG2' ' HD1' ' A' ' 193' ' ' TYR . 21.0 ptmt -112.2 168.48 9.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 3.38 110.18 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.54 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.47 152.15 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.68 111.488 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 192' ' ' THR . 37.8 t -73.51 -22.02 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.763 -0.653 . . . . 2.4 109.992 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -112.19 142.58 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 3.83 110.51 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.262 -0.875 . . . . 4.92 111.081 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.397 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' H1 ' ' HE2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.75 0.31 . . . . 33.06 110.842 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -135.17 43.51 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 30.18 110.845 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.9 t60 59.04 91.04 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.929 -0.578 . . . . 30.03 111.145 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.439 ' HE2' ' H1 ' ' A' ' 1' ' ' MET . 65.3 m-70 -107.66 -47.43 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 27.02 110.532 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -117.15 163.38 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.992 -0.549 . . . . 25.84 110.61 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.84 67.75 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.596 -0.811 . . . . 23.39 112.751 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -126.96 -65.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 23.38 110.959 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.9 -8.66 78.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.825 -0.702 . . . . 19.99 112.548 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 35.6 mmtp -72.11 -16.9 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 19.51 110.781 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -94.19 -28.4 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 18.49 110.93 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.22 -13.53 59.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 18.8 111.136 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.12 77.88 1.24 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.705 -0.76 . . . . 16.54 112.602 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 9' ' ' LYS . 64.1 Cg_endo -73.17 -43.14 0.78 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.541 2.161 . . . . 16.15 112.247 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.28 137.93 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 15.32 110.874 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -155.81 -65.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 16.15 110.901 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -79.73 -13.15 59.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 11.77 110.673 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -75.35 1.69 13.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 13.21 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -71.48 -7.28 46.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 16.22 110.773 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.42 -37.41 11.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 12.96 111.135 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -121.23 127.21 26.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 10.55 110.966 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.43 6.36 4.05 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.389 2.059 . . . . 10.34 112.226 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.49 HG21 ' HA ' ' A' ' 201' ' ' PRO . 65.7 mt -60.09 -30.57 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 8.43 110.797 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.59 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 9.55 110.388 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -74.37 -17.74 60.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.961 -0.563 . . . . 13.54 110.285 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.81 -115.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.792 -0.718 . . . . 8.88 112.222 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.7 33.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.662 0.268 . . . . 8.92 111.193 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' HA ' ' HG3' ' A' ' 201' ' ' PRO . 99.4 mtt180 59.11 22.05 10.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.058 0.456 . . . . 10.3 110.794 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.527 ' HB2' ' H ' ' A' ' 196' ' ' SER . 6.1 tp-100 55.63 60.47 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 6.98 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m -148.99 157.88 39.61 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 3.85 111.117 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.02 126.47 21.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.585 2.19 . . . . 3.29 112.291 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.02 177.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.17 -0.468 . . . . 2.72 110.958 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.54 98.59 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 2.44 110.756 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -88.57 132.39 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.95 111.054 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 7.1 m-20 -112.82 129.25 56.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 1.53 111.07 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -80.08 -45.15 18.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 2.28 110.914 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -65.38 -31.49 72.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 4.16 110.551 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' A' ' 34' ' ' ASP . 27.7 m -86.23 -22.28 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 2.26 111.214 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.13 157.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 1.59 111.214 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -123.14 134.51 54.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 4.1 111.07 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -77.25 131.49 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 4.34 110.834 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -130.09 90.96 40.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 3.04 110.991 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.19 32.1 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.648 2.232 . . . . 2.51 112.334 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -68.98 -20.75 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 3.54 111.366 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.0 tp -154.23 112.19 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 3.49 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.03 144.72 29.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 4.66 110.901 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 45.4 Cg_exo -57.26 130.0 37.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.554 2.169 . . . . 2.89 111.913 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.24 -68.2 0.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.404 -0.362 . . . . 5.61 111.426 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 m -135.87 151.94 50.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 3.01 111.409 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.28 123.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.423 . . . . 2.88 111.383 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.3 t -113.39 150.78 32.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 2.94 110.725 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -168.9 39.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.063 0.459 . . . . 5.23 110.999 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -92.78 -39.54 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 4.17 110.5 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -80.38 -14.48 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 5.15 110.727 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.565 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.58 120.5 7.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 2.19 111.0 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -157.93 148.78 20.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 2.31 111.124 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 175' ' ' PHE . 63.0 m -81.89 151.19 27.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 2.24 110.64 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HB3' HH11 ' A' ' 58' ' ' ARG . 31.8 tp -110.61 -39.25 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 4.0 111.318 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.519 HH11 ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -172.13 161.71 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 5.17 110.764 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.1 mt -128.99 104.01 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.2 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.21 143.76 43.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 3.06 110.996 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 66' ' ' PHE . 1.8 m-20 -105.7 162.67 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 2.16 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -106.33 23.51 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 3.54 111.439 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.79 9.14 82.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 2.67 112.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -151.67 -57.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 5.03 110.468 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.89 153.81 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 2.49 110.514 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 28.6 p90 -120.84 133.84 55.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 3.96 111.534 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -132.63 150.22 52.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 3.14 110.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.85 111.9 37.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 2.51 111.215 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.02 143.8 26.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 3.84 110.925 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.58 149.34 24.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 4.98 110.767 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 27.0 t70 -58.8 105.3 0.3 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.546 . . . . 3.04 111.55 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.594 ' HA ' ' HZ1' ' A' ' 76' ' ' LYS . 21.6 m-20 -94.95 34.63 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 3.88 111.015 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -60.31 -43.63 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 3.52 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -143.23 -74.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 4.49 111.093 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.92 164.92 33.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 2.84 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HZ1' ' HA ' ' A' ' 72' ' ' ASP . 30.9 mtmm -143.7 -83.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 3.74 111.417 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.79 144.73 51.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 1.97 111.171 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HB ' ' OG1' ' A' ' 87' ' ' THR . 19.6 m -138.36 132.43 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.669 . . . . 2.27 110.659 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tt -128.93 123.0 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 2.78 111.053 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -123.88 148.4 46.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 3.11 110.66 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -119.62 84.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.821 -0.704 . . . . 2.5 112.544 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.92 -173.23 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.841 -0.695 . . . . 2.96 112.323 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.94 2.3 5.57 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.034 . . . . 4.5 112.075 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.73 152.18 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 3.36 110.959 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -105.7 12.18 31.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 5.04 110.734 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.451 ' HA2' ' HZ3' ' A' ' 126' ' ' LYS . . . -98.12 62.69 0.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 2.03 112.444 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.416 ' OG1' ' HB ' ' A' ' 78' ' ' VAL . 9.8 t -67.1 144.3 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 2.23 111.021 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.475 ' HB2' ' HD1' ' A' ' 122' ' ' HIS . 47.8 m-85 -91.18 136.25 33.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 3.57 111.012 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -102.42 141.21 35.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 4.36 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 120' ' ' LEU . 6.5 mp -84.34 141.81 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 3.01 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 91' ' ' ILE . 4.3 mp -117.31 -68.98 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 111.935 0.346 . . . . 2.89 111.935 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -159.18 169.3 24.45 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.627 0.251 . . . . 3.0 111.339 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 54.1 p90 -152.0 162.48 41.02 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.88 0.371 . . . . 1.76 110.981 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.7 p-80 -131.0 168.9 16.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 1.36 110.892 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -110.8 157.76 19.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.94 0.4 . . . . 3.9 111.583 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.59 173.82 7.18 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.865 -0.607 . . . . 2.17 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.494 ' HB2' ' HE2' ' A' ' 240' ' ' MET . 29.2 t90 -157.9 133.92 9.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 6.63 110.632 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.53 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -76.76 157.07 46.91 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.868 -0.682 . . . . 3.04 112.627 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t -79.3 -17.51 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 4.64 110.777 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 tp -87.52 152.58 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 5.7 110.316 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -87.22 21.6 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 5.38 110.812 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.69 -49.25 0.11 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.846 -0.693 . . . . 4.71 112.642 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -169.93 173.52 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.821 0.343 . . . . 5.24 111.126 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.79 80.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 2.08 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.9 t -95.15 -75.49 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.665 0.269 . . . . 2.22 110.932 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' ' 245' ' ' ARG . 32.5 tt0 -175.8 -76.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 2.64 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -80.56 173.23 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 2.79 110.672 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 m -133.74 79.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.389 . . . . 2.38 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.468 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.8 m -81.98 147.55 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 2.7 111.183 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 51.21 39.64 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 2.18 110.82 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 56.22 25.15 8.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 3.86 111.548 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -135.74 155.49 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.402 . . . . 4.34 111.332 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -123.34 152.77 41.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.55 . . . . 3.01 110.525 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.41 170.7 7.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 2.48 111.058 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.44 43.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.346 -0.388 . . . . 2.1 111.302 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.96 169.37 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.99 110.81 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -152.78 138.69 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.733 0.301 . . . . 2.4 111.265 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.45 HD23 HD23 ' A' ' 147' ' ' LEU . 4.0 pp -86.74 143.91 27.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 2.52 110.456 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.427 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -109.42 97.22 6.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 1.93 111.176 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.56 HD22 HD21 ' A' ' 90' ' ' LEU . 58.2 tp -105.84 122.61 46.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 2.98 111.037 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.95 123.59 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 2.44 110.841 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.475 ' HD1' ' HB2' ' A' ' 88' ' ' TYR . 8.0 p80 -128.08 107.21 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 3.2 110.918 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -111.49 159.18 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 4.68 110.978 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.02 128.05 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 2.56 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -63.03 -14.91 53.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 2.19 111.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.451 ' HZ3' ' HA2' ' A' ' 86' ' ' GLY . 54.6 mttp -61.53 -28.88 69.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 4.02 110.701 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 132' ' ' LYS . 59.8 m-85 -93.21 -28.96 15.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 4.5 110.852 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.91 -6.17 35.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.846 -0.693 . . . . 2.38 112.593 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -168.9 158.77 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 3.07 110.922 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -73.02 -19.51 61.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 3.61 110.982 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.95 95.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 2.51 112.453 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 127' ' ' TYR . 87.5 tttt -85.57 -21.26 28.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 4.04 110.507 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.443 ' O ' ' HA2' ' A' ' 139' ' ' GLY . . . -70.24 -53.62 16.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 2.12 110.948 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' A' ' 136' ' ' GLN . 18.3 m -53.28 -16.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.024 -0.535 . . . . 2.79 111.658 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.05 13.55 1.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 4.15 110.599 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 134' ' ' VAL . 15.3 mm100 -131.62 153.42 81.52 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.842 -0.617 . . . . 3.37 110.46 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.71 -17.63 50.85 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.592 2.195 . . . . 2.89 112.449 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.28 -13.21 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 2.64 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 133' ' ' ALA . . . 42.6 -123.91 3.78 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 116.035 -0.529 . . . . 1.75 112.737 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 167.66 17.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 2.23 110.647 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -113.69 132.88 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 1.5 111.059 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 132.42 61.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.356 . . . . 1.88 111.372 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 211' ' ' LEU . 13.9 tp -86.87 144.12 27.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 2.67 110.542 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.471 ' HA3' HG11 ' A' ' 210' ' ' VAL . . . -121.13 112.97 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.617 -0.802 . . . . 1.4 112.818 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 211' ' ' LEU . 71.9 mt -130.41 107.31 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 2.06 110.984 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -69.13 160.53 30.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 5.19 110.796 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.45 HD23 HD23 ' A' ' 118' ' ' LEU . 98.8 mt -138.76 111.75 7.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 3.73 110.971 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -112.52 147.23 37.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 4.63 110.77 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.27 155.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 3.58 111.466 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 83.32 76.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.854 -0.689 . . . . 3.15 112.73 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -165.6 37.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 4.35 110.852 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 61.79 155.46 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.047 -0.524 . . . . 4.28 111.211 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HB2' ' HZ1' ' A' ' 153' ' ' LYS . 4.6 ttmp? -89.98 132.65 35.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 5.57 110.5 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.436 ' HG2' ' HG ' ' A' ' 156' ' ' LEU . 91.0 Cg_endo -80.98 25.84 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.405 2.07 . . . . 3.3 112.474 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.12 44.05 8.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 2.71 112.653 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.436 ' HG ' ' HG2' ' A' ' 154' ' ' PRO . 79.4 mt -104.43 18.72 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 4.34 110.702 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.74 -21.9 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 4.04 110.796 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.01 -35.04 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.958 -0.565 . . . . 5.16 110.933 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.472 HG22 HD21 ' A' ' 177' ' ' ASN . 42.6 t -62.97 -24.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.48 110.627 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.404 HG23 ' HZ1' ' A' ' 224' ' ' LYS . 98.2 t -65.4 -32.35 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 3.6 110.683 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.11 -51.19 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 110.516 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.0 -17.9 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 3.02 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 164' ' ' ASP . 0.4 OUTLIER -63.01 -51.98 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 2.72 111.068 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.4 ' N ' HD23 ' A' ' 163' ' ' LEU . 10.0 m-20 -57.61 -12.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 2.42 111.103 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.9 t -86.35 -38.05 17.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 2.22 110.836 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 13.3 pt -91.42 42.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 3.02 111.049 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.85 -40.19 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 4.14 110.752 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 134.18 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.82 111.323 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.538 ' HE3' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.65 145.75 31.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 3.97 110.998 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 93.07 3.84 65.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.874 -0.679 . . . . 2.38 113.041 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -109.39 149.86 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 3.72 110.932 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.3 p -97.26 165.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 2.54 111.243 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.63 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 2.36 111.117 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.93 155.79 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 3.74 110.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 50.7 p90 -61.44 136.35 58.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 5.29 110.943 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.9 t -143.83 -172.51 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 5.01 110.773 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.472 HD21 HG22 ' A' ' 159' ' ' VAL . 15.7 t-20 60.07 56.81 3.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 7.01 111.08 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -93.09 142.35 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 5.44 110.574 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.52 91.0 32.41 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 3.92 111.337 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.64 -38.7 23.6 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.38 2.053 . . . . 5.03 111.757 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.08 -19.24 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 9.4 110.679 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.55 2.68 29.38 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 3.43 112.572 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.09 14.26 2.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.719 0.295 . . . . 6.25 110.753 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.21 151.21 27.89 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.445 . . . . 5.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -52.09 131.94 41.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.584 2.19 . . . . 4.45 112.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -7.13 59.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 6.38 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 21.7 p 60.14 175.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.923 -0.58 . . . . 5.39 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.36 58.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 4.68 110.95 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -147.85 126.95 12.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.525 . . . . 3.78 110.869 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.552 ' H ' ' HB2' ' A' ' 259' ' ' PHE . 43.5 p90 -168.66 158.01 8.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.395 -0.366 . . . . 3.57 110.689 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.574 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.0 m-90 -97.94 153.76 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 4.84 110.571 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.46 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -155.87 145.27 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 2.03 111.401 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -144.08 112.03 5.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 3.02 110.569 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.447 ' HA ' HG22 ' A' ' 207' ' ' THR . 50.3 Cg_exo -53.49 149.02 32.11 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.54 2.16 . . . . 1.7 112.688 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -143.69 -141.97 3.88 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.852 -0.689 . . . . 1.85 112.387 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 28' ' ' GLN . 80.7 p -135.57 179.8 6.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.765 0.317 . . . . 2.97 111.046 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.472 HD11 HD12 ' A' ' 203' ' ' LEU . 94.4 mt -63.5 -176.88 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 6.37 110.64 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 56.6 m -55.19 -29.54 58.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.16 0.505 . . . . 5.44 110.317 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.504 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 61.1 p -89.93 164.1 29.72 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 5.31 110.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.504 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 95.3 Cg_exo -43.65 164.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.619 2.213 . . . . 6.09 112.636 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 22' ' ' ILE . 58.2 Cg_exo -35.31 98.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.131 2.554 . . . . 6.63 112.984 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.16 -47.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 5.85 111.387 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.472 HD12 HD11 ' A' ' 197' ' ' LEU . 80.9 mt -146.05 130.81 18.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.853 0.358 . . . . 5.45 111.313 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 16.87 3.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 3.98 110.538 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 78.6 m -58.35 -17.45 20.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 3.13 110.988 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 45.9 t -123.97 122.65 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 2.42 111.155 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 194' ' ' PRO . 33.6 p -112.86 149.39 33.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 1.8 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -94.26 119.92 33.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 3.11 110.848 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.8 mp -115.03 140.56 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 2.13 110.72 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . 0.471 HG11 ' HA3' ' A' ' 144' ' ' GLY . 11.0 m -137.22 119.81 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 2.73 111.452 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 143' ' ' LEU . 85.0 mt -62.22 152.44 33.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.615 . . . . 4.37 111.038 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -81.12 -13.41 58.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 6.2 111.324 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.74 85.79 17.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 5.91 110.869 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.82 141.9 17.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.621 2.214 . . . . 4.22 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 49.9 mm -72.37 146.98 10.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 4.88 110.865 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 t -127.26 127.74 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 3.8 111.132 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.22 169.54 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 3.0 110.942 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.403 ' HG ' ' H ' ' A' ' 220' ' ' GLU . 37.1 t -103.59 148.1 26.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 3.66 110.799 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 48.4 t -60.2 -26.59 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 3.12 110.624 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . 0.403 ' H ' ' HG ' ' A' ' 218' ' ' SER . 38.9 tt0 -85.16 -20.35 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 4.51 110.69 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.97 -44.71 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 4.63 110.678 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.04 -15.55 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 2.92 110.924 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 62.7 tp -50.85 -45.05 59.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 3.21 111.242 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 0.5 OUTLIER -66.2 -29.97 70.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.349 . . . . 4.23 110.915 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.33 -26.94 62.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 4.01 110.873 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -70.53 -16.1 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 5.4 110.741 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -80.16 -30.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 3.8 111.203 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.11 162.3 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 3.46 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . 0.405 ' HB2' ' HZ1' ' A' ' 169' ' ' LYS . 17.5 m120 -99.32 147.14 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 3.16 111.127 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.421 ' C ' ' HG2' ' A' ' 169' ' ' LYS . 80.2 m-85 -104.3 3.86 33.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 6.2 111.117 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -133.76 107.57 7.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 4.89 111.365 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -80.25 -154.21 9.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 4.09 112.426 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -60.99 148.53 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 7.57 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 81.06 3.81 90.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.855 -0.688 . . . . 6.57 112.56 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -136.87 145.87 52.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.496 0.189 . . . . 5.7 110.92 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.98 134.05 41.33 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.594 2.196 . . . . 7.04 112.376 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.39 92.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 6.78 111.024 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -139.26 160.86 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 5.03 110.504 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.8 mt -106.35 101.7 11.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.72 0.295 . . . . 5.59 111.267 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.494 ' HE2' ' HB2' ' A' ' 97' ' ' TRP . 21.4 ptm 32.3 45.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.568 -0.742 . . . . 5.6 111.902 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 31.3 m -78.42 171.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.779 -0.646 . . . . 3.98 111.296 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 62.24 31.63 17.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 3.67 110.874 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.03 43.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 4.18 110.937 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . 0.53 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 48.7 p-90 -136.3 161.75 34.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 3.85 111.183 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.478 ' HB3' ' HG3' ' A' ' 106' ' ' GLU . 14.5 tpt180 -141.0 131.08 13.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.769 -0.65 . . . . 4.15 110.765 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.14 153.17 79.13 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.407 2.072 . . . . 2.75 112.252 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -106.21 156.54 18.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.402 -0.363 . . . . 3.18 111.24 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 155.16 75.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 5.96 110.801 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 137.91 36.32 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.435 2.09 . . . . 4.47 112.198 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.25 -43.56 92.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.869 -0.605 . . . . 4.44 110.662 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 62.14 5.99 1.66 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.697 -0.683 . . . . 7.2 111.475 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -104.24 -29.08 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 5.62 110.526 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 69.52 0.62 3.01 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.658 -0.701 . . . . 6.22 111.544 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -144.12 117.35 8.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.808 0.337 . . . . 3.56 111.252 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.409 HG12 HG22 ' A' ' 33' ' ' ILE . 7.9 tp -115.57 138.98 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 2.59 110.496 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' A' ' 256' ' ' LYS . 0.0 OUTLIER -97.14 160.35 14.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 3.38 110.929 -179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -158.62 168.22 27.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 1.68 110.813 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.6 t -78.29 -39.16 40.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.194 -0.457 . . . . 2.4 110.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.552 ' HB2' ' H ' ' A' ' 190' ' ' TYR . 90.7 m-85 -140.63 135.52 31.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.579 . . . . 3.83 111.038 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 4.92 111.137 -179.76 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.434 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.813 0.34 . . . . 33.06 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -61.38 105.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 30.18 110.779 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 56.34 74.22 0.4 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.03 -0.532 . . . . 30.03 110.962 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -169.02 140.95 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 27.02 110.793 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -141.21 162.65 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 25.84 110.823 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.21 165.75 29.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 23.39 112.183 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -112.61 -62.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.293 . . . . 23.38 110.772 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.12 155.17 26.01 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.861 -0.685 . . . . 19.99 112.626 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -77.04 -46.98 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 19.51 110.826 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.68 -14.72 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 18.49 110.542 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.92 2.34 46.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 18.8 110.812 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.79 175.36 16.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 16.54 112.496 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.04 134.58 37.46 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.637 2.225 . . . . 16.15 112.281 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -149.6 12.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.32 110.867 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -88.54 91.47 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 16.15 110.765 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.74 -16.68 51.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 11.77 110.673 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.21 -34.59 72.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.816 -0.629 . . . . 13.21 110.279 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -98.98 15.52 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 16.22 111.141 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -125.28 -75.37 0.59 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 12.96 111.301 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 96.4 m-85 -88.95 141.26 29.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 10.55 111.035 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 20' ' ' PHE . 16.0 Cg_exo -67.85 -3.17 9.96 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.645 2.23 . . . . 10.34 112.018 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -78.46 -41.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 8.43 110.588 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.04 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 9.55 110.484 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -71.88 -13.26 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 13.54 110.472 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.58 -78.5 1.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 8.88 112.467 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 43.4 tt0 -60.12 114.09 2.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.718 0.294 . . . . 8.92 111.081 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.602 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -114.0 9.61 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 10.3 110.901 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.435 ' HG2' ' HG3' ' A' ' 26' ' ' GLU . 29.3 pt20 -87.82 176.39 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 6.98 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.7 p -167.83 78.14 0.9 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 3.85 110.693 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 246' ' ' PRO . 18.8 Cg_endo -58.72 125.2 17.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.544 2.163 . . . . 3.29 112.169 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -142.2 176.7 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.979 -0.555 . . . . 2.72 110.636 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -82.55 98.79 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.206 -0.452 . . . . 2.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 2.2 mm -76.96 140.84 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.62 . . . . 1.95 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -110.76 117.81 34.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.02 0.438 . . . . 1.53 111.009 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -80.28 -20.66 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.601 . . . . 2.28 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -79.45 -39.69 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 4.16 110.622 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -85.48 -13.78 48.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 2.26 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 152.47 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.59 111.224 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -135.09 138.31 43.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 4.1 110.786 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 29.1 p90 -83.55 150.42 25.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 4.34 110.969 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.84 130.65 23.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 3.04 110.597 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.53 34.53 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.393 2.062 . . . . 2.51 112.548 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -89.68 -33.5 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 3.54 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.8 mt -115.21 154.43 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 3.49 111.269 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.34 153.53 41.93 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.465 . . . . 4.66 110.943 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.16 125.66 19.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.388 2.059 . . . . 2.89 111.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.528 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 3.9 pp -97.88 155.65 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 5.61 111.188 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -123.24 140.36 53.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 3.01 110.803 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.446 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 24.8 m -102.72 139.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 2.88 111.594 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -113.51 149.57 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 2.94 110.597 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -167.45 40.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 5.23 110.779 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.39 -20.97 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 4.17 110.366 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 76' ' ' LYS . 13.4 pt20 -135.55 18.72 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 5.15 111.084 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -53.97 120.7 6.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.559 -0.291 . . . . 2.19 111.138 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 ' HA ' ' A' ' 176' ' ' THR . 31.4 m -148.7 141.4 24.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 2.31 111.205 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.8 p -89.29 164.21 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 2.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -111.54 -38.92 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 4.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -177.77 168.93 2.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.393 -0.367 . . . . 5.17 110.868 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tt -132.87 117.47 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 2.2 111.072 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.33 154.04 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 3.06 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.39 156.55 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 2.16 110.666 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.79 23.49 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 3.54 110.951 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.05 -7.46 81.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.643 -0.789 . . . . 2.67 112.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -146.21 -66.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.718 0.294 . . . . 5.03 110.769 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.86 159.15 15.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.387 . . . . 2.49 110.803 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -124.45 137.09 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 3.96 110.95 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -132.96 150.95 52.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 3.14 110.666 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' HD2' ' A' ' 93' ' ' PHE . 7.3 p -107.4 137.97 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 2.51 111.103 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -112.13 135.85 52.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.84 110.902 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -100.03 151.6 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 4.98 110.764 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' HB3' ' HZ1' ' A' ' 76' ' ' LYS . 23.8 t70 -59.94 129.5 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 3.04 111.147 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -96.12 -19.3 19.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 3.88 110.977 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -69.93 -7.06 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 3.52 110.658 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -165.99 95.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.965 -0.561 . . . . 4.49 110.533 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.62 111.63 0.68 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 2.84 111.136 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 46.1 mmtm -82.62 -62.21 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 3.74 110.856 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -111.21 117.43 33.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 1.97 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 p -135.71 150.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 2.27 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -130.06 154.85 47.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.78 110.789 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG2' HG23 ' A' ' 87' ' ' THR . 52.3 mtpt -130.4 145.11 51.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.354 -0.384 . . . . 3.11 111.234 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.528 ' HA3' ' HB3' ' A' ' 47' ' ' LEU . . . -170.31 178.57 42.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.969 -0.634 . . . . 2.5 112.179 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.44 175.08 7.71 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.425 -0.893 . . . . 2.96 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.17 -50.38 2.9 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.674 2.249 . . . . 4.5 112.359 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.38 144.94 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 3.36 111.057 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -85.82 3.54 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 5.04 110.864 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.89 131.51 31.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.592 -0.813 . . . . 2.03 111.962 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 80' ' ' LYS . 33.5 p -87.44 156.31 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 2.23 111.463 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -119.44 118.01 29.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 3.57 110.892 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -103.45 151.2 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 4.36 110.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -82.66 140.56 33.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.89 0.376 . . . . 3.01 110.642 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.4 mt -103.73 -75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 2.89 111.618 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -159.52 159.17 33.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.626 -0.261 . . . . 3.0 111.389 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.437 ' HD2' HG11 ' A' ' 68' ' ' VAL . 3.2 p90 -122.55 159.44 27.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 1.76 110.301 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -152.61 169.1 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 1.36 111.127 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -110.49 150.86 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 3.9 110.506 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -99.74 147.84 25.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 2.17 111.05 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -85.72 156.0 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 6.63 110.712 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.9 -176.71 31.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.214 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.468 ' H ' ' HB3' ' A' ' 244' ' ' TRP . 69.6 m -93.49 -34.91 13.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 4.64 111.156 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.408 ' H ' ' HB2' ' A' ' 244' ' ' TRP . 8.0 mp -109.61 140.33 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 5.7 110.739 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -117.55 79.06 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 5.38 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.34 -37.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.81 -0.709 . . . . 4.71 112.459 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -163.88 158.31 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 5.24 110.819 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.522 ' HA2' ' HD2' ' A' ' 113' ' ' LYS . . . 120.18 83.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 2.08 112.637 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.8 p -87.95 176.26 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.29 . . . . 2.22 110.762 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.37 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 2.64 111.003 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -91.66 164.97 13.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 2.79 110.36 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.3 p -138.86 104.76 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.506 -0.316 . . . . 2.38 111.094 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.515 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.9 m -88.78 148.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.393 . . . . 2.7 111.217 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.2 t70 54.71 32.68 17.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.582 . . . . 2.18 110.564 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 59.18 23.62 11.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 3.86 110.803 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -111.81 129.0 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 4.34 110.87 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.522 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 25.5 ttpp -108.32 147.84 30.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.4 . . . . 3.01 110.55 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.59 174.0 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.48 110.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.55 -53.34 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 2.1 111.051 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.99 173.03 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 1.99 110.832 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 132.36 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 2.4 111.772 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.5 mt -87.7 148.15 24.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 2.52 110.119 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 3.8 t-160 -119.5 95.52 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 1.93 111.011 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.57 123.03 47.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 2.98 110.945 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.506 HG23 HG13 ' A' ' 142' ' ' VAL . 27.7 t -99.78 147.67 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.391 . . . . 2.44 111.021 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -124.21 137.22 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 3.2 111.008 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -116.75 145.4 43.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 4.68 110.7 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -81.02 131.53 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 2.56 111.06 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 t -80.5 -15.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 2.19 110.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.7 -34.07 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.93 -0.577 . . . . 4.02 110.785 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -85.91 -29.84 23.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 4.5 110.718 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.11 -0.87 7.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.979 -0.629 . . . . 2.38 113.181 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.8 145.02 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 3.07 111.246 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -81.64 -30.65 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 3.61 110.651 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.29 65.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 2.51 112.175 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -86.54 -21.23 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.955 0.407 . . . . 4.04 110.412 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.446 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -76.42 -50.09 15.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 2.12 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.7 -23.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 2.79 111.337 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -78.17 -28.76 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 4.15 111.065 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.39 147.58 33.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 3.37 110.818 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.78 -13.01 34.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.485 2.124 . . . . 2.89 112.033 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.13 13.76 13.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.536 . . . . 2.64 110.825 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -52.03 -60.15 7.94 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.015 -0.612 . . . . 1.75 112.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.39 146.5 40.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.788 0.328 . . . . 2.23 110.753 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -115.68 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 1.5 111.037 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.506 HG13 HG23 ' A' ' 121' ' ' VAL . 59.1 t -91.8 131.54 38.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.88 111.158 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 209' ' ' ILE . 64.9 tp -108.15 139.25 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.67 110.827 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -107.72 112.15 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 1.4 112.406 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 48.2 mm -99.08 142.68 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.77 0.319 . . . . 2.06 111.156 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -111.19 165.19 12.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 5.19 111.054 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.97 140.93 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 3.73 110.852 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.41 139.1 40.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 4.63 110.997 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.37 141.81 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 3.58 110.912 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.26 -176.32 20.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 3.15 112.376 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.6 t 57.03 73.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 4.35 110.774 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.8 163.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 4.28 111.68 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.653 ' HZ1' ' HB3' ' A' ' 153' ' ' LYS . 7.8 ttpm? -67.5 117.21 45.03 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 5.57 110.929 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.82 -22.51 20.1 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.288 1.992 . . . . 3.3 112.356 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 149.69 59.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.669 -0.777 . . . . 2.71 112.684 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.95 17.66 15.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 4.34 110.651 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' A' ' 160' ' ' VAL . 35.9 tt0 -57.81 -25.91 61.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.929 -0.578 . . . . 4.04 111.16 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -63.19 -34.94 78.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 5.16 110.747 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.27 -26.33 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 3.48 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.45 HG23 ' HG2' ' A' ' 224' ' ' LYS . 90.4 t -56.71 -32.05 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.044 -0.525 . . . . 3.6 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.61 -25.75 41.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 3.01 110.232 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.24 -19.23 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.691 -0.686 . . . . 3.02 110.946 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.15 -35.89 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 2.72 111.076 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.03 -12.68 12.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.01 -0.541 . . . . 2.42 110.866 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 37.3 t -65.2 -24.27 67.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 2.22 111.229 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.485 HD11 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -134.8 42.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 3.02 111.348 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.47 ' HG3' HG23 ' A' ' 168' ' ' THR . 60.8 pttt -59.88 -34.31 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.338 -0.392 . . . . 4.14 111.055 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' ' 167' ' ' LYS . 70.0 p -92.24 157.2 16.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 2.82 111.041 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.4 OUTLIER -79.31 142.54 36.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.112 -0.495 . . . . 3.97 110.869 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 108.26 -15.33 36.1 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.9 -0.666 . . . . 2.38 111.92 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.424 ' HB3' HG22 ' A' ' 166' ' ' ILE . 35.8 mmtp -87.86 177.23 7.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 3.72 111.017 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.7 p -150.72 162.8 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.54 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -158.9 137.24 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 2.36 111.088 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.59 143.93 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 3.74 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -138.16 155.9 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 5.29 111.057 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.409 ' HA ' HG21 ' A' ' 55' ' ' THR . 6.0 t -133.97 167.21 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 5.01 110.893 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.54 56.56 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 7.01 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -95.85 109.28 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 5.44 110.46 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -145.71 81.87 9.77 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 3.92 111.297 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -77.62 -29.71 4.42 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.547 2.164 . . . . 5.03 112.3 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . 0.473 ' HD3' HD13 ' A' ' 184' ' ' LEU . 30.5 mmt180 -82.24 -6.95 59.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 9.4 110.635 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.36 -22.61 45.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.829 -0.7 . . . . 3.43 112.727 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 183' ' ' LEU . 3.8 mm? -97.98 -16.16 19.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.709 0.29 . . . . 6.25 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.473 HD13 ' HD3' ' A' ' 181' ' ' ARG . 39.3 mt -97.41 137.26 21.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.325 -0.398 . . . . 5.0 111.076 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 148.35 29.75 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.469 2.112 . . . . 4.45 112.281 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.89 -8.65 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 6.38 111.013 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 40.3 t -95.35 101.21 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.39 110.81 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.0 pp -163.81 158.44 20.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 4.68 111.204 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.99 177.38 4.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 3.78 110.558 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.422 ' HB3' HD22 ' A' ' 211' ' ' LEU . 43.3 p90 -169.84 145.76 3.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.847 0.355 . . . . 3.57 111.123 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -88.91 161.96 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.563 -0.532 . . . . 4.84 109.563 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.632 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -137.88 132.04 31.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 2.03 111.907 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.24 74.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.63 . . . . 3.02 110.146 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.568 ' HA ' ' H ' ' A' ' 208' ' ' TRP . 71.4 Cg_exo -49.79 142.02 26.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.858 2.372 . . . . 1.7 112.866 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.535 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -90.42 14.12 63.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.83 -0.7 . . . . 1.85 112.155 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 197' ' ' LEU . 67.6 m -113.87 -174.0 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.378 -0.23 . . . . 2.97 110.378 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 196' ' ' SER . 35.5 tp 73.97 -66.72 0.29 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.408 0.442 . . . . 6.37 111.51 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 10.1 m -64.65 -12.93 51.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 5.44 110.764 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.453 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 29.9 p -92.26 162.41 30.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 5.31 111.149 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 86.2 Cg_exo -45.07 159.91 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.612 2.208 . . . . 6.09 112.483 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.54 28.71 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.851 2.367 . . . . 6.63 113.065 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 200' ' ' PRO . 69.8 mt -108.22 -53.93 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 5.85 110.859 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 28.8 tp -107.08 111.29 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 5.45 110.645 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.32 21.74 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 3.98 110.913 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 26.0 p -114.46 20.9 15.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 3.13 110.87 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 10.6 t -127.37 110.43 22.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.442 . . . . 2.42 111.267 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.535 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 8.9 t -113.02 147.49 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 1.8 110.564 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . 0.568 ' H ' ' HA ' ' A' ' 194' ' ' PRO . 16.5 t-105 -111.08 108.21 17.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 3.11 111.029 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.452 ' HB ' HD11 ' A' ' 143' ' ' LEU . 6.8 mm -105.89 153.19 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.634 . . . . 2.13 110.506 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 15.9 m -142.18 131.44 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.954 0.407 . . . . 2.73 111.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 190' ' ' TYR . 13.3 mt -85.61 158.43 20.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 4.37 110.935 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -88.51 -38.33 15.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 6.2 111.225 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -118.96 83.0 22.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 5.91 111.001 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.25 171.13 17.51 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.557 2.171 . . . . 4.22 112.352 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 16.5 tt -75.84 141.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 4.88 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 72.6 p -101.87 127.93 48.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.502 . . . . 3.8 111.069 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 12.5 p -109.4 143.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 3.0 110.864 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.4 t -77.59 148.14 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 3.66 111.083 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.4 p -66.45 -14.52 62.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 3.12 110.609 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -86.1 -24.98 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 4.51 110.783 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.501 HE21 ' HB2' ' A' ' 153' ' ' LYS . 79.1 mm-40 -69.79 -32.56 71.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.191 -0.459 . . . . 4.63 111.462 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.442 ' HA ' ' HD1' ' A' ' 225' ' ' PHE . 34.6 m -74.19 -8.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 2.92 111.05 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.81 -24.62 48.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 3.21 110.647 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.45 ' HG2' HG23 ' A' ' 160' ' ' VAL . 3.2 mptp? -76.56 -33.6 58.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 4.23 110.717 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . 0.442 ' HD1' ' HA ' ' A' ' 222' ' ' VAL . 96.9 m-85 -69.28 -24.0 63.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 4.01 111.03 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -70.61 -18.28 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 5.4 110.853 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -71.37 -18.0 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 3.8 110.97 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.461 ' HG ' ' HA ' ' A' ' 167' ' ' LYS . 7.9 mp -78.99 162.03 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 3.46 110.929 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . 0.45 HD21 HG21 ' A' ' 168' ' ' THR . 95.0 m-20 -90.4 179.23 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 3.16 111.491 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -91.54 -9.64 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 6.2 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -167.2 -16.16 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.79 0.329 . . . . 4.89 111.109 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 143.46 -168.83 26.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 4.09 112.638 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 157.09 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 7.57 110.86 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 71.79 15.3 75.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.769 -0.729 . . . . 6.57 112.308 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -116.44 137.16 23.35 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.385 0.136 . . . . 5.7 110.851 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.52 146.91 89.06 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.475 2.117 . . . . 7.04 112.07 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.02 92.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 6.78 110.966 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -136.85 138.09 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 5.03 110.726 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.64 125.9 25.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 5.59 110.95 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.495 ' HG3' HG22 ' A' ' 241' ' ' VAL . 25.4 ptp -61.36 -34.82 75.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 5.6 110.619 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.495 HG22 ' HG3' ' A' ' 240' ' ' MET . 27.8 m -145.54 175.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.637 -0.71 . . . . 3.98 111.033 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -135.7 -167.99 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 3.67 110.535 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -131.28 53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 4.18 111.073 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . 0.468 ' HB3' ' H ' ' A' ' 99' ' ' SER . 67.4 t-105 -121.89 115.91 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 3.85 110.985 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 245' ' ' ARG . 1.6 mmp_? -135.68 150.38 71.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 4.15 110.591 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.558 ' HB2' ' HG2' ' A' ' 30' ' ' PRO . 34.8 Cg_exo -57.62 164.82 6.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.523 2.148 . . . . 2.75 112.239 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.38 38.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 3.18 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.21 120.96 66.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 5.96 110.462 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.43 123.89 14.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.252 1.968 . . . . 4.47 112.116 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 18.7 tp -79.8 -8.78 59.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 4.44 110.559 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm 58.59 17.49 5.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 7.2 111.047 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.17 150.02 48.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.29 -0.414 . . . . 5.62 110.488 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 253' ' ' ARG . 5.9 mpt_? -111.16 2.92 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 6.22 111.554 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.01 117.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 3.56 111.206 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 5.7 tp -116.61 124.39 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 2.59 110.861 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.41 141.05 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 3.38 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.632 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.5 170.94 15.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 1.68 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 192' ' ' THR . 29.8 t -102.28 -2.06 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 2.4 110.255 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -111.77 148.23 33.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 3.83 110.595 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.184 -0.912 . . . . 4.92 111.037 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.455 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.858 0.361 . . . . 33.06 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -83.76 97.5 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 30.18 110.926 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -134.75 98.22 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 30.03 110.776 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -90.84 146.07 24.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 27.02 110.914 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -127.24 134.84 50.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 25.84 110.853 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.77 12.35 6.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 23.39 112.756 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -96.36 175.84 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 23.38 111.152 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.14 70.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.855 -0.688 . . . . 19.99 112.4 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -81.63 -36.32 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 19.51 111.064 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -84.17 4.09 32.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 18.49 110.989 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -99.39 -13.44 19.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 18.8 110.655 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.86 69.38 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.847 -0.692 . . . . 16.54 112.288 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.18 134.96 67.41 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.566 2.177 . . . . 16.15 112.417 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -111.84 -63.69 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 15.32 110.619 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 55.44 92.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 16.15 111.501 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -77.11 -29.89 55.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 11.77 110.736 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 18.2 p80 -74.86 -13.78 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 13.21 110.64 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -84.21 -19.98 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 16.22 110.645 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -117.11 -62.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 12.96 110.983 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' C ' ' H ' ' A' ' 22' ' ' ILE . 98.6 m-85 -88.17 124.32 66.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 10.55 110.711 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 10.2 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.19 1.927 . . . . 10.34 111.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 ' H ' ' C ' ' A' ' 20' ' ' PHE . 43.0 mt -81.21 -32.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 8.43 110.73 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.98 -31.34 19.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.966 -0.561 . . . . 9.55 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 26.8 tptp -74.19 -17.93 60.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 13.54 111.325 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.75 -26.74 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.45 -0.881 . . . . 8.88 112.823 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 56.73 82.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 8.92 110.642 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -120.26 18.73 12.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 10.3 110.598 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.96 14.76 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 6.98 111.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -152.75 155.25 32.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 3.85 111.147 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.97 132.78 51.59 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.661 2.241 . . . . 3.29 112.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 249' ' ' PRO . 75.7 t -141.41 152.43 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 2.72 110.699 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 3.2 m-20 -76.41 98.49 4.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.349 . . . . 2.44 110.442 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.508 HG23 HD13 ' A' ' 255' ' ' ILE . 2.7 mp -91.06 147.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 1.95 111.338 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' HB2' HG22 ' A' ' 37' ' ' THR . 9.0 m-20 -109.95 129.36 55.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 1.53 111.076 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -72.81 -17.8 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 2.28 110.734 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -74.17 -40.95 62.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.798 -0.637 . . . . 4.16 111.061 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 34' ' ' ASP . 14.9 t -75.23 -5.37 44.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 2.26 111.033 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 157.63 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 1.59 111.221 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -122.66 149.64 43.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 4.1 110.644 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -81.03 114.21 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 4.34 111.217 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.16 90.92 45.89 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 3.04 110.836 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.02 53.7 4.69 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.55 2.167 . . . . 2.51 112.626 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -87.22 -41.95 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 3.54 110.683 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.7 mm? -91.57 94.23 9.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 3.49 110.621 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.9 147.68 33.78 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 4.66 111.024 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 125.78 9.37 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.266 1.978 . . . . 2.89 111.778 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 tp -124.28 -62.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 5.61 110.946 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 55.1 m -135.82 139.82 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 3.01 111.061 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.75 124.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 2.88 111.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 m -113.37 142.65 45.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 2.94 110.814 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -177.7 37.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 5.23 111.002 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -92.64 -43.94 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 4.17 110.819 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -89.68 -4.85 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 5.15 110.755 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.08 120.66 5.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.277 -0.42 . . . . 2.19 110.791 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 178' ' ' PHE . 85.7 m -157.5 145.44 18.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 2.31 111.68 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -92.64 150.79 20.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.85 -0.614 . . . . 2.24 110.157 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 tp -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 4.0 111.794 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 59' ' ' ILE . 42.1 ttp180 -159.5 157.69 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.421 . . . . 5.17 111.754 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.413 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 14.2 tt -131.01 126.75 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.782 -0.644 . . . . 2.2 110.418 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 172' ' ' SER . 43.3 tp -112.87 148.12 35.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 3.06 111.01 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -109.05 155.1 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.16 110.776 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.56 23.89 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 3.54 111.739 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.63 82.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.453 -0.88 . . . . 2.67 112.608 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -178.77 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 5.03 110.752 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.68 125.3 50.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 2.49 110.621 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -123.21 139.66 53.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 3.96 111.733 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -131.67 152.47 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.782 -0.645 . . . . 3.14 109.786 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -92.17 138.02 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.616 0.246 . . . . 2.51 110.987 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.598 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 9.9 pt-20 -119.14 143.75 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 3.84 111.453 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.85 172.21 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 4.98 110.882 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 20.9 t70 -59.99 120.57 9.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 3.04 110.753 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.31 -14.96 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 3.88 110.945 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.3 t -71.51 -11.45 60.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 3.52 111.146 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -154.66 153.69 31.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.313 -0.403 . . . . 4.49 110.817 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.09 118.58 18.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 2.84 110.857 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 70.7 mmtt -91.09 -82.4 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.74 111.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' A' ' 54' ' ' ALA . . . -115.21 123.35 48.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 1.97 111.71 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.36 165.04 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.658 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 5.4 mp -129.91 155.72 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 2.78 110.822 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 62.7 mttp -145.69 143.39 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 3.11 110.702 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.6 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . -99.02 -176.24 31.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.678 -0.772 . . . . 2.5 112.564 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.69 -87.54 0.34 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.607 -0.806 . . . . 2.96 112.75 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.25 -60.47 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.6 2.2 . . . . 4.5 112.686 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.6 HD21 ' HA3' ' A' ' 81' ' ' GLY . 2.0 pt? -63.65 145.85 54.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 3.36 110.951 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.57 13.14 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 5.04 110.593 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.77 132.12 21.84 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.836 -0.697 . . . . 2.03 112.49 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.8 m -108.73 126.43 52.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 2.23 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.507 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 83.0 m-85 -86.43 122.73 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 3.57 110.625 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -96.15 153.49 17.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 4.36 110.716 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.9 tt -118.78 128.93 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.929 -0.397 . . . . 3.01 109.929 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.581 HG12 ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -119.5 -69.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.193 0.442 . . . . 2.89 112.193 -179.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.598 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 15.7 mt-30 -139.43 162.96 33.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.83 0.348 . . . . 3.0 111.617 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -155.05 161.64 41.27 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.188 -0.46 . . . . 1.76 110.837 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.467 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.2 p-80 -147.58 168.27 22.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 1.36 110.49 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 118' ' ' LEU . 13.2 p90 -117.13 147.92 42.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.901 0.382 . . . . 3.9 111.875 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -107.28 165.91 11.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.966 -0.561 . . . . 2.17 110.929 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -147.59 167.29 24.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.29 -0.414 . . . . 6.63 111.107 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.2 156.06 22.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.579 . . . . 3.04 112.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 -18.76 60.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 4.64 111.031 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -96.7 153.31 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 5.7 110.973 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.91 29.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 5.38 110.734 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.47 -46.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.855 -0.688 . . . . 4.71 112.525 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -166.65 157.79 12.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 5.24 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.86 71.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.488 -0.863 . . . . 2.08 113.089 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -126.28 -82.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 2.22 110.802 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HG2' ' HD2' ' A' ' 245' ' ' ARG . 46.3 mt-10 -151.09 -88.28 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.384 -0.371 . . . . 2.64 111.42 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.46 171.89 8.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 2.79 111.356 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 86.8 m -139.56 91.33 2.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 2.38 110.728 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.52 147.81 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 2.7 111.024 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.8 37.66 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 2.18 110.816 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 59.2 24.87 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.931 0.396 . . . . 3.86 111.079 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -136.15 123.36 21.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 4.34 110.831 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -83.98 144.58 29.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 3.01 110.995 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -70.39 140.93 52.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 2.48 110.529 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.62 -28.84 22.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 2.1 110.773 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.28 136.61 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 1.99 110.114 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -152.45 138.57 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 2.4 111.265 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 95' ' ' PHE . 4.4 pp -87.18 147.9 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 2.52 111.289 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -101.38 121.56 42.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.907 -0.588 . . . . 1.93 110.958 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.37 116.57 32.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 2.98 110.879 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.46 121.92 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 2.44 110.824 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -131.64 154.68 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 3.2 110.507 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -165.11 118.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 4.68 110.958 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -55.54 133.4 50.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 2.56 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.2 t -82.1 -14.76 55.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 2.19 111.434 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.617 ' HB3' ' HZ1' ' A' ' 126' ' ' LYS . 7.6 mtpm? -59.42 -24.83 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 4.02 111.176 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -81.04 -26.78 36.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 4.5 111.246 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.97 -44.78 3.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.643 -0.789 . . . . 2.38 112.614 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.05 149.63 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 3.07 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -63.5 -19.35 64.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 3.61 111.038 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.75 -43.44 96.24 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.592 -0.813 . . . . 2.51 112.402 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.19 -19.82 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 4.04 110.743 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.31 -51.51 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 2.12 110.603 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.31 -7.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 2.79 111.498 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.19 -15.72 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 4.15 110.695 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.629 HE21 ' HB2' ' A' ' 138' ' ' ASP . 20.6 pt20 -140.27 156.03 70.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 3.37 110.713 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.18 -16.95 57.69 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.79 2.327 . . . . 2.89 112.867 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.629 ' HB2' HE21 ' A' ' 136' ' ' GLN . 9.1 m-20 -95.29 10.85 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.704 0.288 . . . . 2.64 111.073 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.01 -76.04 0.2 Allowed Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.949 -0.643 . . . . 1.75 112.723 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -128.1 155.82 43.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.69 0.281 . . . . 2.23 110.873 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.14 34.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 1.5 111.509 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.3 t -127.32 107.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.258 -0.428 . . . . 1.88 110.979 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 10.4 mp -86.13 144.27 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 2.67 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.2 123.5 4.22 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.694 -0.765 . . . . 1.4 112.843 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.2 mt -110.86 136.15 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.694 0.283 . . . . 2.06 110.735 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.524 ' H ' ' HG2' ' A' ' 214' ' ' PRO . 40.8 t80 -76.4 145.09 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.431 -0.35 . . . . 5.19 110.986 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.467 HD12 HD22 ' A' ' 118' ' ' LEU . 89.0 mt -132.82 124.16 27.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 3.73 110.891 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.41 ' HE3' HD12 ' A' ' 215' ' ' ILE . 28.1 ttpp -146.43 144.47 29.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.63 110.786 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.61 121.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 3.58 111.187 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.83 -94.62 0.48 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.81 -0.71 . . . . 3.15 112.403 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.4 p -93.02 171.54 8.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 4.35 110.892 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -70.48 -164.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 4.28 111.198 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.422 ' HZ2' ' HG3' ' A' ' 157' ' ' GLN . 22.9 ttpp -72.73 113.12 18.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 5.57 111.066 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' A' ' 156' ' ' LEU . 73.4 Cg_endo -76.25 -17.18 17.09 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.29 1.993 . . . . 3.3 112.083 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.93 59.07 0.01 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.829 -0.701 . . . . 2.71 112.726 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 154' ' ' PRO . 7.4 mp -122.86 34.43 5.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 4.34 110.811 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.436 ' HA ' HG23 ' A' ' 160' ' ' VAL . 45.9 mt-30 -55.78 -36.71 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 4.04 111.065 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -24.31 64.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 5.16 111.074 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.8 -36.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 3.48 111.307 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.48 ' HA ' HD21 ' A' ' 163' ' ' LEU . 28.3 m -80.89 -18.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.6 111.05 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.38 -37.24 20.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 3.01 111.071 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.81 -44.05 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.907 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.562 ' HA ' HG12 ' A' ' 166' ' ' ILE . 0.2 OUTLIER -75.17 -21.06 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.72 110.763 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.459 ' N ' HD23 ' A' ' 163' ' ' LEU . 13.9 t70 -58.81 -17.61 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.919 -0.582 . . . . 2.42 109.867 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 56.3 m -94.13 -29.71 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 2.22 110.895 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' A' ' 163' ' ' LEU . 0.3 OUTLIER -91.63 50.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 3.02 110.816 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.73 -40.28 62.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.044 -0.525 . . . . 4.14 110.599 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.9 p -114.98 137.71 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.675 -0.693 . . . . 2.82 110.66 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.474 ' HZ3' ' HE3' ' A' ' 240' ' ' MET . 1.2 mptm? -60.48 147.77 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 3.97 111.094 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.3 -6.8 26.76 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.668 -0.696 . . . . 2.38 112.134 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.417 ' HB2' HG21 ' A' ' 166' ' ' ILE . 99.7 mttt -109.19 177.14 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 3.72 110.93 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' SER . . . . . 0.401 ' HB3' HD12 ' A' ' 60' ' ' LEU . 67.7 p -151.32 168.71 23.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 2.54 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -161.39 142.73 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 2.36 110.819 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.56 136.39 33.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 3.74 111.219 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -149.31 142.21 24.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 5.29 110.45 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.1 t -129.41 176.69 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.36 -0.382 . . . . 5.01 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 60.37 56.79 3.07 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.929 0.395 . . . . 7.01 110.869 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . 0.52 ' H ' HG22 ' A' ' 55' ' ' THR . 73.4 t80 -81.84 147.48 29.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 5.44 110.836 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.76 113.67 23.48 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 3.92 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.08 -21.22 12.31 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.337 2.025 . . . . 5.03 112.207 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 74.7 mtp180 -71.77 -11.23 60.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 9.4 110.652 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -58.81 -29.33 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 3.43 112.261 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.2 pp -117.07 12.08 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 6.25 111.128 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 41.6 tp -57.82 119.23 32.03 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.224 -0.444 . . . . 5.0 111.02 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.492 ' HD2' HD11 ' A' ' 184' ' ' LEU . 48.6 Cg_endo -68.88 131.14 21.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.187 1.925 . . . . 4.45 111.964 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.5 -24.13 39.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 6.38 111.291 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 46.7 t -142.49 166.93 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.352 . . . . 5.39 111.019 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 93.1 mt -107.64 31.52 5.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.68 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.509 ' HB2' ' HD2' ' A' ' 212' ' ' LYS . 5.3 m-20 -136.13 147.76 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 3.78 110.242 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -170.0 171.66 6.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 3.57 111.225 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -107.41 174.42 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 4.84 109.969 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.9 t -151.62 137.03 17.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.13 0.419 . . . . 2.03 112.13 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -132.4 78.64 67.47 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 3.02 110.306 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 130.08 34.86 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.794 2.329 . . . . 1.7 112.731 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.31 -172.72 13.31 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.899 -0.667 . . . . 1.85 112.334 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 12.4 m -129.34 -175.29 3.53 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.532 0.206 . . . . 2.97 110.838 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.62 160.92 3.96 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.871 0.367 . . . . 6.37 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 6.0 t -70.6 -5.36 28.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 5.44 110.926 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 27.3 p -103.77 168.94 7.93 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 5.31 110.069 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 71.6 Cg_exo -40.64 162.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.28 1.986 . . . . 6.09 112.361 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -32.32 96.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.246 2.63 . . . . 6.63 113.207 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.7 -61.68 1.61 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.056 -0.52 . . . . 5.85 111.004 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' A' ' 205' ' ' CYS . 0.8 OUTLIER -176.41 137.97 0.3 Allowed 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.895 0.379 . . . . 5.45 111.079 -179.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -84.01 30.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.213 0.53 . . . . 3.98 109.922 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . 0.414 ' H ' ' C ' ' A' ' 203' ' ' LEU . 49.6 t -57.22 -17.66 12.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 3.13 111.555 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.48 136.04 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 2.42 111.412 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 54.9 m -113.16 146.17 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 1.8 110.284 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -113.71 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 3.11 110.706 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 4.4 mp -114.22 135.71 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 2.13 110.729 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.99 117.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 2.73 111.036 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.506 ' HB2' ' HG3' ' A' ' 214' ' ' PRO . 7.8 mp -62.78 171.42 2.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.244 -0.434 . . . . 4.37 110.744 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 61.8 mtpt -58.64 -55.59 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 6.2 111.194 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.85 70.9 1.26 Allowed Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.294 -0.412 . . . . 5.91 111.307 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . 0.524 ' HG2' ' H ' ' A' ' 146' ' ' PHE . 90.0 Cg_endo -83.07 152.29 14.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.713 2.275 . . . . 4.22 112.481 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . 0.41 HD12 ' HE3' ' A' ' 148' ' ' LYS . 6.0 tt -162.85 111.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 4.88 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 41.4 m -137.55 102.22 4.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.349 -0.387 . . . . 3.8 111.081 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.71 137.67 15.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.342 -0.39 . . . . 3.0 110.877 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.9 m -115.49 151.09 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 3.66 110.697 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.6 m -72.77 -13.45 61.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 3.12 111.095 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -83.2 -45.01 14.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 4.51 111.276 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -66.04 -25.33 67.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 4.63 110.498 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 77.3 t -83.22 -30.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 2.92 110.72 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.59 -43.56 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 3.21 110.454 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.06 -17.29 37.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 4.23 110.743 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.11 -35.69 79.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 4.01 110.542 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.09 -30.44 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 5.4 110.795 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.39 -23.83 62.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 3.8 111.035 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.525 HD13 HD13 ' A' ' 163' ' ' LEU . 91.4 mt -81.7 162.16 23.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 3.46 111.316 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -130.32 158.49 39.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.966 -0.561 . . . . 3.16 110.962 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -54.32 -47.4 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 6.2 110.652 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.55 145.49 46.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 4.89 110.81 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -71.14 -166.25 6.91 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.797 -0.716 . . . . 4.09 112.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 157.43 2.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.11 0.481 . . . . 7.57 111.768 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.74 53.02 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.704 -0.68 . . . . 6.57 112.366 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -142.41 154.34 63.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.327 0.108 . . . . 5.7 110.731 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.84 162.53 3.68 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.607 2.204 . . . . 7.04 112.396 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.66 136.44 56.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 6.78 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -140.93 155.81 46.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 5.03 111.028 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.493 ' HB3' HG22 ' A' ' 241' ' ' VAL . 75.0 mt -95.89 134.4 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 5.59 110.741 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.474 ' HE3' ' HZ3' ' A' ' 169' ' ' LYS . 88.1 mtp -65.95 -12.64 56.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 5.6 111.04 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 239' ' ' LEU . 34.1 m -86.05 -171.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 3.98 111.086 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.4 t70 71.61 44.48 0.51 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.141 0.496 . . . . 3.67 110.365 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -134.52 55.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 4.18 111.098 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -101.97 172.91 6.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 3.85 111.144 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.442 ' HD2' ' HG2' ' A' ' 106' ' ' GLU . 98.0 mtt180 -133.23 107.42 12.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 4.15 110.73 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.84 147.78 13.7 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.647 2.232 . . . . 2.75 112.774 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -130.46 136.07 48.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.984 -0.553 . . . . 3.18 110.997 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -137.79 133.6 17.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 5.96 110.819 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 31' ' ' VAL . 83.9 Cg_endo -81.48 124.89 4.85 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.514 2.143 . . . . 4.47 112.634 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.2 mm? -78.61 -48.89 14.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 4.44 110.455 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -143.36 -64.38 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 7.2 110.538 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -175.64 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 5.62 110.255 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 62.55 149.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 6.22 111.71 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -102.15 135.31 43.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 3.56 110.548 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.508 HD13 HG23 ' A' ' 33' ' ' ILE . 6.5 tt -112.04 116.01 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 2.59 111.702 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.16 163.48 22.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.325 -0.62 . . . . 3.38 109.325 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.55 146.25 8.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.472 -0.491 . . . . 1.68 112.164 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.2 t -74.52 -19.11 60.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.566 -0.743 . . . . 2.4 109.246 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.501 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 90.6 t80 -111.73 141.0 45.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.205 -0.907 . . . . 3.83 110.134 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.184 -0.912 . . . . 4.92 111.124 -179.586 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.434 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.85 0.357 . . . . 33.06 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -149.34 154.72 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 30.18 111.044 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -128.45 134.82 48.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 30.03 110.665 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t60 55.86 86.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 27.02 110.958 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -132.09 151.58 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 25.84 110.664 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.88 53.81 0.2 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.875 -0.678 . . . . 23.39 112.473 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -77.39 169.91 17.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.741 0.305 . . . . 23.38 110.809 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.83 31.93 8.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.844 -0.693 . . . . 19.99 112.4 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -75.36 -19.51 59.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 19.51 111.035 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -69.63 -30.09 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 18.49 110.954 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -85.81 25.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 18.8 110.94 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.05 69.36 0.06 OUTLIER Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.919 -0.658 . . . . 16.54 112.446 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.69 80.05 2.89 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.579 2.186 . . . . 16.15 112.32 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -125.44 42.61 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 15.32 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -89.06 109.54 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 16.15 110.922 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -82.81 -22.83 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 11.77 110.992 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 3.3 p-80 -77.19 -7.5 55.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.413 -0.358 . . . . 13.21 111.236 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -80.57 -19.84 44.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 16.22 111.081 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.32 -60.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 12.96 110.991 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -102.74 149.94 37.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 10.55 110.874 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' ' 24' ' ' LYS . 90.8 Cg_endo -82.91 22.51 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.688 2.259 . . . . 10.34 112.732 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.37 -56.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 8.43 110.708 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 201' ' ' PRO . . . -87.89 -24.3 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.732 -0.667 . . . . 9.55 110.745 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 27.4 tptp -70.67 -17.19 62.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 13.54 110.584 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.48 113.91 2.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.852 -0.69 . . . . 8.88 112.442 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -111.55 120.72 43.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.819 0.342 . . . . 8.92 110.943 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -142.25 28.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.258 0.552 . . . . 10.3 110.354 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.504 ' HA ' ' HG1' ' A' ' 198' ' ' THR . 25.2 pt20 -57.58 129.59 42.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.66 . . . . 6.98 111.211 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -166.41 77.14 1.13 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 3.85 110.897 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 127.79 16.0 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.561 2.174 . . . . 3.29 112.452 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -144.34 145.88 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 2.72 111.354 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.7 115.04 3.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.515 . . . . 2.44 110.66 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 6.9 mm -50.13 128.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 1.95 111.382 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.53 111.156 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.6 m -80.31 -40.5 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.626 . . . . 2.28 110.922 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.48 -35.23 80.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 4.16 111.016 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 m -75.54 -22.7 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 2.26 110.814 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.59 155.83 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 1.59 111.034 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -123.9 142.34 51.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 4.1 111.084 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -66.5 133.6 50.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 4.34 110.818 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 258' ' ' SER . 16.7 t70 -125.68 90.98 49.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 3.04 111.113 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.24 20.86 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.668 2.246 . . . . 2.51 112.443 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -62.18 -45.7 92.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 3.54 111.073 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.541 HD11 ' HA3' ' A' ' 82' ' ' GLY . 3.2 mm? -80.34 151.94 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 3.49 110.847 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -108.28 141.43 23.2 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.345 -0.389 . . . . 4.66 110.839 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.67 125.62 18.84 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.27 1.98 . . . . 2.89 111.853 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HB2' ' HA2' ' A' ' 81' ' ' GLY . 5.5 tp -130.87 -168.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 5.61 111.056 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.523 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 56.8 m -64.5 151.7 43.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 3.01 111.494 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.98 116.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 2.88 111.182 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 78' ' ' VAL . 36.0 m -113.7 146.01 40.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 2.94 110.813 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -174.32 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 5.23 111.194 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -64.35 -15.96 61.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 4.17 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -95.89 -10.9 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 5.15 111.06 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.624 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -54.64 126.31 23.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 2.19 111.521 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 m -112.63 139.35 48.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.165 -0.47 . . . . 2.31 111.163 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -95.94 162.46 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 2.24 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.2 tp -111.86 -38.83 4.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 4.0 111.428 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -172.98 156.64 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 5.17 110.904 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.555 HG12 HG13 ' A' ' 68' ' ' VAL . 71.5 mt -132.66 112.01 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.2 110.665 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 tp -112.91 140.56 47.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 3.06 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.4 m-20 -112.46 149.03 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 2.16 110.896 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -106.62 21.65 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 3.54 110.635 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.82 -25.6 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.835 -0.697 . . . . 2.67 112.401 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -112.79 -57.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 5.03 110.892 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.14 153.55 49.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 2.49 110.77 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 47.6 p90 -137.28 164.11 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 3.96 111.398 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -133.06 152.57 51.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.809 -0.632 . . . . 3.14 110.742 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.555 HG13 HG12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -108.08 107.12 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 2.51 110.866 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.38 140.79 29.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 3.84 111.403 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -116.63 177.37 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 4.98 110.404 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.38 134.98 39.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 3.04 110.827 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -101.33 -24.43 14.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.209 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -70.07 -15.7 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 3.52 111.038 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -157.12 145.99 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 4.49 111.013 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.35 94.31 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.84 110.653 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 44.4 mmtm -58.22 -62.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 3.74 111.347 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . . . -90.78 142.7 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 1.97 111.307 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 50' ' ' SER . 18.4 m -143.67 159.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 2.27 110.855 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 94.3 mt -131.69 117.89 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 2.78 111.105 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 90.8 mttt -131.49 153.6 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 3.11 110.519 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 47' ' ' LEU . . . 160.89 112.18 0.29 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.788 . . . . 2.5 112.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.541 ' HA3' HD11 ' A' ' 44' ' ' LEU . . . 122.44 175.72 14.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.636 -0.792 . . . . 2.96 112.462 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.77 -6.34 18.48 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.4 2.067 . . . . 4.5 112.014 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.28 156.56 15.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.873 -0.603 . . . . 3.36 111.099 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.7 22.51 15.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 5.04 110.605 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.78 149.72 17.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.909 -0.662 . . . . 2.03 112.503 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.412 ' OG1' ' HE2' ' A' ' 80' ' ' LYS . 97.9 m -126.15 133.15 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 2.23 111.285 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.543 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 84.2 m-85 -87.05 125.56 34.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 3.57 110.502 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -102.5 147.64 26.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 4.36 111.234 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . 6.3 mp -97.95 139.08 34.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 3.01 110.682 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.488 HD11 ' N ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -118.28 -59.05 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 2.89 111.762 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.455 ' H ' HG12 ' A' ' 91' ' ' ILE . 23.1 pt20 -159.35 160.0 34.52 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.871 0.322 . . . . 3.0 111.871 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.448 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 30.7 p90 -137.19 160.01 40.24 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.359 -0.382 . . . . 1.76 110.122 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.424 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 13.2 p-80 -132.42 167.9 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 1.36 111.723 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -117.85 145.56 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 3.9 110.379 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.402 ' HD1' ' CG ' ' A' ' 243' ' ' ASN . 14.1 m-70 -96.83 129.4 44.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 2.17 111.243 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -134.08 -177.2 4.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.87 -0.605 . . . . 6.63 110.453 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.17 162.02 29.91 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.616 -0.802 . . . . 3.04 112.614 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.1 t -107.79 8.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 4.64 110.771 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.93 159.92 19.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.934 -0.575 . . . . 5.7 110.452 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.76 105.98 15.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 5.38 111.088 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.12 -69.88 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.894 -0.669 . . . . 4.71 112.056 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 244' ' ' TRP . 25.4 mt-30 -147.91 174.77 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 5.24 110.901 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.33 -78.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.773 . . . . 2.08 112.26 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.0 p -106.92 -170.16 1.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 2.22 110.964 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 244' ' ' TRP . 35.7 tt0 -86.63 -73.2 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 2.64 110.752 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -94.89 168.16 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.79 110.366 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 113' ' ' LYS . 77.3 p -135.7 123.94 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 2.38 111.596 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.431 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 30.9 m -96.99 141.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 2.7 110.523 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 54.91 34.87 23.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.397 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 60.29 25.25 14.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.574 . . . . 3.86 111.397 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -116.56 129.66 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 4.34 110.935 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.501 ' HA ' HG23 ' A' ' 108' ' ' THR . 39.0 ttmt -97.6 155.5 16.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 3.01 111.075 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 148' ' ' LYS . 31.4 m-85 -118.64 173.91 6.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 2.48 110.735 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.94 -47.13 9.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 2.1 111.289 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.97 171.46 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 1.99 110.41 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.85 131.12 12.01 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 2.4 112.086 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.505 HD11 HD13 ' A' ' 145' ' ' ILE . 3.9 pp -90.83 148.05 22.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.144 -0.48 . . . . 2.52 109.951 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -110.7 106.85 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 1.93 111.675 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.55 HD23 HD22 ' A' ' 143' ' ' LEU . 50.1 tp -89.67 107.99 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 2.98 110.337 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.34 113.09 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 2.44 111.563 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.543 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 34.8 p80 -131.88 155.02 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 3.2 110.172 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -162.32 141.48 9.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 4.68 111.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.471 HD22 ' HB2' ' A' ' 126' ' ' LYS . 50.0 t30 -61.34 121.46 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.701 -0.681 . . . . 2.56 110.896 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -80.01 -14.84 58.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 2.19 111.457 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HB2' HD22 ' A' ' 124' ' ' ASN . 74.9 mmtt -59.16 -18.89 40.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 4.02 110.783 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.428 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 64.4 m-85 -79.21 7.5 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 4.5 110.948 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.35 -72.74 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.844 -0.693 . . . . 2.38 112.529 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -136.33 171.89 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 3.07 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -59.95 -22.77 62.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 3.61 110.991 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.46 -53.8 39.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.853 -0.689 . . . . 2.51 112.672 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 127' ' ' TYR . 23.8 tptm -73.36 -20.66 60.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 4.04 110.808 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.89 -48.12 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 2.12 111.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.44 HG22 HE21 ' A' ' 135' ' ' GLN . 28.0 m -66.64 -2.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 2.79 111.713 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.44 HE21 HG22 ' A' ' 134' ' ' VAL . 29.0 mm-40 -72.48 -15.14 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 4.15 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.89 144.5 53.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 3.37 110.646 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.91 -11.15 30.07 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 2.89 111.95 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -111.85 -4.82 14.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 2.64 111.012 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.79 28.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 1.75 112.422 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 132.54 54.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 2.23 110.392 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 144.31 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 1.5 111.108 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.79 108.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 1.88 111.043 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.614 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 9.6 tt -88.13 117.63 27.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 2.67 110.881 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 127.46 8.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.858 -0.686 . . . . 1.4 112.39 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.505 HD13 HD11 ' A' ' 118' ' ' LEU . 62.5 mt -107.02 132.42 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 2.06 110.947 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -85.79 165.69 16.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 5.19 110.867 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.9 mt -140.07 121.08 14.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 3.73 110.983 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 114' ' ' TYR . 88.1 tttt -127.93 153.76 46.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 4.63 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -87.63 152.3 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 3.58 110.629 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.88 -179.4 22.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.662 -0.78 . . . . 3.15 112.141 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 m 58.44 84.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.819 0.343 . . . . 4.35 110.334 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 4.28 111.942 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.598 ' HZ1' ' HB2' ' A' ' 157' ' ' GLN . 35.7 ttpt -58.43 117.53 21.0 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.752 -0.658 . . . . 5.57 111.264 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.22 -18.18 14.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.383 2.055 . . . . 3.3 112.117 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.13 59.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.911 -0.662 . . . . 2.71 112.488 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 95.4 mt -135.63 35.53 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 4.34 110.761 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.598 ' HB2' ' HZ1' ' A' ' 153' ' ' LYS . 52.6 tt0 -53.56 -61.86 2.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.839 -0.619 . . . . 4.04 111.326 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.42 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 5.16 111.619 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.72 -45.72 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.379 . . . . 3.48 111.391 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.424 ' O ' HD23 ' A' ' 163' ' ' LEU . 16.5 m -85.12 -14.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 3.6 111.264 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.8 -19.15 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 111.005 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.97 -17.34 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 3.02 111.814 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 160' ' ' VAL . 1.8 pt? -58.35 -22.3 52.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.741 0.305 . . . . 2.72 111.414 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -55.78 -12.55 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 2.42 110.797 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -12.13 35.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 2.22 110.875 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 166' ' ' ILE . 2.2 mp -127.62 50.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 3.02 110.609 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.624 ' HZ2' ' HB3' ' A' ' 167' ' ' LYS . 6.9 ttpm? -53.34 -47.74 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 4.14 111.121 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 41.1 p -84.78 160.57 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.413 . . . . 2.82 111.022 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 1.5 tmmt? -80.43 107.56 13.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 3.97 110.863 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.52 8.97 24.14 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.594 -0.812 . . . . 2.38 113.31 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.429 ' HB3' HG23 ' A' ' 166' ' ' ILE . 23.7 ttmm -84.48 156.54 21.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.883 0.342 . . . . 3.72 110.765 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 94.3 p -97.69 165.95 11.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 2.54 110.804 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.66 37.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 2.36 111.254 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.89 157.74 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.968 -0.56 . . . . 3.74 110.865 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -48.34 135.71 13.37 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.045 -0.525 . . . . 5.29 111.175 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.3 t -162.61 -172.4 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 5.01 110.824 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 57.33 49.41 13.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.972 0.415 . . . . 7.01 110.705 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -92.0 136.92 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 5.44 110.945 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.14 90.92 25.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 3.92 111.023 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.19 -47.48 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.361 2.041 . . . . 5.03 112.252 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 183' ' ' LEU . 15.9 ptm180 -65.99 -18.09 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 9.4 110.698 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -78.97 26.35 2.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 3.43 112.475 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 181' ' ' ARG . 3.6 pp -77.98 9.33 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 6.25 111.032 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.2 127.23 90.7 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 5.0 110.757 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.95 131.78 46.29 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.382 2.055 . . . . 4.45 112.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.61 -16.34 54.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 6.38 111.178 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 37.6 t 60.71 175.24 0.1 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.203 -0.453 . . . . 5.39 110.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.14 110.07 22.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.472 -0.331 . . . . 4.68 110.658 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.9 p30 176.89 118.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.905 -0.589 . . . . 3.78 110.264 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -169.86 161.8 9.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.756 0.313 . . . . 3.57 110.813 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.602 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.5 m-90 -105.37 122.53 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 4.84 110.112 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.409 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -127.54 171.24 11.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 2.03 111.599 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -159.35 130.21 3.73 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 3.02 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.517 ' HA ' HG21 ' A' ' 207' ' ' THR . 73.9 Cg_exo -50.45 127.73 21.27 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.47 2.113 . . . . 1.7 112.491 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -116.19 37.96 3.22 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.742 -0.742 . . . . 1.85 112.964 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 197' ' ' LEU . 24.0 m -113.63 168.87 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.553 -0.166 . . . . 2.97 110.553 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 196' ' ' SER . 50.9 mt 75.02 -53.61 0.67 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.658 0.598 . . . . 6.37 111.214 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' THR . . . . . 0.504 ' HG1' ' HA ' ' A' ' 28' ' ' GLN . 16.3 m -62.57 -12.51 23.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.461 . . . . 5.44 110.605 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 8.3 t -89.53 146.6 36.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 5.31 111.26 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -43.22 156.97 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.884 2.39 . . . . 6.09 112.731 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 36.0 Cg_exo -59.42 85.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.665 2.244 . . . . 6.63 112.621 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.83 -51.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 5.85 110.779 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 203' ' ' LEU . 2.3 pt? -168.31 164.88 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 5.45 111.183 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -124.93 20.96 8.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 3.98 110.36 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 80.0 m -100.55 29.39 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 3.13 110.58 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.74 112.46 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.783 -0.644 . . . . 2.42 110.88 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.517 HG21 ' HA ' ' A' ' 194' ' ' PRO . 22.6 m -112.49 145.33 40.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.45 -0.341 . . . . 1.8 110.796 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -95.74 108.35 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 3.11 110.702 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.614 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.9 mp -108.77 142.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 2.13 110.944 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 26.2 t -138.03 116.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 2.73 111.116 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.86 155.7 15.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.382 -0.372 . . . . 4.37 110.71 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -48.06 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 6.2 110.677 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.99 88.76 8.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 5.91 110.814 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.92 153.93 71.79 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.516 2.144 . . . . 4.22 112.515 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.07 142.56 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 4.88 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -136.75 155.3 50.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 3.8 111.519 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.36 169.39 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.818 -0.628 . . . . 3.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.9 t -107.09 154.14 21.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.5 -0.318 . . . . 3.66 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 54.2 m -55.61 -22.0 20.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 3.12 110.818 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . 0.401 ' HG2' ' HZ3' ' A' ' 153' ' ' LYS . 11.1 tp10 -85.5 -32.81 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 4.51 110.604 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.55 -32.43 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 4.63 110.419 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.93 -26.75 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 2.92 110.614 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.558 HD13 ' HD3' ' A' ' 226' ' ' ARG . 48.0 tp -56.28 -34.46 66.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 3.21 110.477 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.87 -28.92 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 4.23 110.381 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.58 -25.9 62.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 4.01 110.707 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.558 ' HD3' HD13 ' A' ' 223' ' ' LEU . 42.6 mtp180 -60.35 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 5.4 110.486 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.69 -26.15 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 3.8 110.409 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.84 162.19 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 3.46 110.789 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -131.9 156.94 45.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 3.16 111.204 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.406 ' HB2' ' HG2' ' A' ' 240' ' ' MET . 41.1 t80 -97.93 3.36 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.76 -0.655 . . . . 6.2 110.598 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . 0.527 ' HA ' ' HE2' ' A' ' 169' ' ' LYS . 8.5 p30 -140.69 12.88 2.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 4.89 111.373 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 108.83 149.64 13.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 4.09 112.541 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -65.24 156.16 32.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.377 . . . . 7.57 110.984 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.31 44.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.878 -0.677 . . . . 6.57 112.671 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -138.72 102.09 7.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 110.689 -0.115 . . . . 5.7 110.689 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.47 164.48 16.61 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.43 2.086 . . . . 7.04 112.647 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.73 93.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.035 -0.53 . . . . 6.78 110.898 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . 0.439 ' HG2' ' ND2' ' A' ' 231' ' ' ASN . 9.3 tp10 -158.47 116.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 5.03 110.676 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.79 147.02 24.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.445 . . . . 5.59 110.524 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.406 ' HG2' ' HB2' ' A' ' 230' ' ' PHE . 54.7 mtt -127.67 42.18 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 5.6 111.232 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 6.6 p -176.17 136.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.094 0.474 . . . . 3.98 111.641 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -161.16 26.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 3.67 110.67 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.402 ' CG ' ' HD1' ' A' ' 96' ' ' HIS . 53.5 m-80 -96.59 56.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 4.18 111.258 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . 0.564 ' HA ' ' HA ' ' A' ' 106' ' ' GLU . 65.6 p-90 -101.73 155.74 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 3.85 110.91 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -140.8 151.69 63.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 4.15 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.1 162.33 16.94 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.413 2.075 . . . . 2.75 111.802 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.05 41.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 3.18 111.118 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.82 133.16 93.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 5.96 110.99 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.12 123.93 6.4 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.359 2.039 . . . . 4.47 112.39 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.3 mm? -80.0 -48.83 12.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 4.44 110.788 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.95 -63.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 7.2 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -171.13 -54.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 5.62 110.885 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 63.15 168.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 6.22 111.108 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -124.08 124.28 42.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 3.56 111.284 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 27.2 mm -84.09 106.87 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 2.59 111.176 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -77.13 92.23 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 3.38 110.191 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.68 111.507 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 41' ' ' ASP . 48.0 t -90.23 -27.12 19.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.872 -0.604 . . . . 2.4 110.482 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -111.96 158.34 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.865 -0.607 . . . . 3.83 110.544 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . 0.624 ' HZ1' ' HB3' ' A' ' 260' ' ' LYS . 7.6 ttpm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.164 -0.922 . . . . 4.92 111.232 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.482 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.821 0.343 . . . . 33.06 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m 56.58 47.78 17.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.975 -0.557 . . . . 30.18 111.176 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -64.91 143.9 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 30.03 110.766 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -111.09 -6.89 14.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 27.02 111.028 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -94.34 140.47 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 25.84 110.861 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.32 153.85 9.61 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.8 -0.714 . . . . 23.39 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' H ' HD22 ' A' ' 11' ' ' ASN . 73.3 t80 -128.97 -58.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.333 . . . . 23.38 110.662 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.1 -64.06 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 19.99 112.459 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -81.92 -12.19 58.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 19.51 110.527 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -91.61 -0.83 57.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.575 . . . . 18.49 110.911 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.522 HD22 ' H ' ' A' ' 7' ' ' TYR . 39.4 m-80 -108.3 -0.74 20.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 18.8 110.887 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 80.77 1.55 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.817 -0.706 . . . . 16.54 112.735 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.36 152.5 71.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.517 2.145 . . . . 16.15 112.071 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -130.24 -76.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 15.32 111.087 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -147.79 46.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 16.15 111.067 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -61.16 -25.34 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 11.77 110.851 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 23.8 p80 -71.78 -26.74 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 13.21 111.075 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -75.03 -17.86 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 16.22 111.117 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -88.32 -51.45 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.398 . . . . 12.96 111.009 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.59 151.36 77.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 10.55 110.934 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -80.43 27.86 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.559 2.172 . . . . 10.34 112.163 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' A' ' 204' ' ' GLU . 39.1 mt -80.26 -37.95 17.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 8.43 110.539 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.86 -28.24 24.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.836 -0.62 . . . . 9.55 110.697 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HG2' ' HB2' ' A' ' 17' ' ' HIS . 32.0 mmmt -70.65 -15.61 62.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 13.54 110.653 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.73 156.25 15.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.755 -0.736 . . . . 8.88 112.702 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -138.87 72.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.057 0.456 . . . . 8.92 110.588 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -127.87 23.01 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 10.3 110.779 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.59 -43.82 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 6.98 111.173 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.92 157.0 63.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 3.85 111.087 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.7 133.35 32.66 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.813 2.342 . . . . 3.29 112.141 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 250' ' ' LEU . 90.6 t -121.92 154.36 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.073 -0.512 . . . . 2.72 110.773 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -88.4 98.54 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 2.44 110.116 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 HG13 ' A' ' 255' ' ' ILE . 3.0 mp -78.6 136.49 23.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 1.95 111.146 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' HB2' HG23 ' A' ' 37' ' ' THR . 3.6 m-20 -110.55 129.21 55.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 1.53 110.889 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -80.28 -18.51 49.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 2.28 111.212 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -81.76 -38.68 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 4.16 111.674 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 34' ' ' ASP . 6.2 t -84.84 -17.22 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.703 0.287 . . . . 2.26 111.521 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 155.83 12.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.405 . . . . 1.59 111.226 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -124.13 132.87 53.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 4.1 110.69 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -73.87 134.87 43.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 4.34 110.987 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.42 90.94 42.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 3.04 110.685 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.17 52.11 3.55 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.643 2.229 . . . . 2.51 112.69 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -68.97 -45.0 71.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 3.54 110.816 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.29 142.04 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 3.49 110.922 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.604 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -108.44 151.5 41.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 4.66 110.974 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG3' HD12 ' A' ' 188' ' ' LEU . 35.5 Cg_endo -65.21 125.9 15.4 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.182 1.921 . . . . 2.89 111.359 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.11 -64.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 5.61 111.638 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -135.36 110.01 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 3.01 111.272 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG23 HD11 ' A' ' 79' ' ' LEU . 49.1 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 2.88 110.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 m -110.91 143.68 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 2.94 110.801 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -173.23 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 5.23 110.68 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.98 -20.56 65.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 4.17 109.803 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -98.06 -13.61 20.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.649 -0.705 . . . . 5.15 110.296 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.39 161.38 7.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 2.19 111.13 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 m -128.14 136.27 50.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 2.31 111.142 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.3 p -87.15 175.44 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 2.24 110.759 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.64 -39.09 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 4.0 110.705 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -174.18 158.02 2.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 5.17 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.3 mt -131.46 103.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 2.2 110.769 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.5 tp -113.76 149.9 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 3.06 110.597 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.45 HD22 HG23 ' A' ' 166' ' ' ILE . 15.4 m-80 -103.7 150.51 23.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 2.16 111.047 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -106.39 21.91 16.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.54 111.329 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.35 11.98 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.556 -0.831 . . . . 2.67 112.604 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -177.85 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.577 0.227 . . . . 5.03 111.432 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.04 179.23 4.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 2.49 111.197 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HB2' ' HD1' ' A' ' 95' ' ' PHE . 62.1 m-85 -120.07 145.95 46.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 3.96 110.491 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.9 104.91 6.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.497 -0.32 . . . . 3.14 110.457 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.14 138.29 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 2.51 111.362 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -125.2 170.34 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 3.84 110.967 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -115.14 155.75 26.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 4.98 110.791 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.63 135.36 48.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 3.04 110.753 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.99 16.24 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 3.88 110.923 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.7 t -54.1 -39.35 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 3.52 110.895 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -166.91 -70.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.299 -0.409 . . . . 4.49 110.89 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -174.77 156.18 2.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 2.84 110.759 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 73.8 mmtt -145.13 -74.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 3.74 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.3 131.52 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.97 111.065 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.44 156.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 2.27 110.921 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 56.2 tp -128.4 134.17 48.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.342 . . . . 2.78 110.947 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -155.3 143.46 20.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 3.11 110.696 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.96 -176.38 33.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 2.5 112.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.01 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.811 -0.709 . . . . 2.96 112.744 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -10.22 28.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.403 2.069 . . . . 4.5 112.32 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.65 130.83 44.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.519 . . . . 3.36 110.809 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -111.47 58.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 5.04 110.538 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.71 108.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.895 -0.669 . . . . 2.03 112.404 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.1 p -80.95 156.14 26.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 2.23 111.309 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.608 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 89.4 m-85 -125.88 126.68 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 3.57 110.636 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 122' ' ' HIS . 80.5 mtm180 -103.3 129.26 50.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.587 -0.279 . . . . 4.36 110.875 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 mt -82.69 140.44 33.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.421 -0.354 . . . . 3.01 110.564 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 122' ' ' HIS . 3.1 mm -103.82 -69.95 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.275 -0.421 . . . . 2.89 111.919 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -159.24 168.39 26.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.712 -0.222 . . . . 3.0 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.509 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 47.6 p90 -155.79 155.58 33.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.065 0.459 . . . . 1.76 111.731 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.4 p-80 -125.86 168.19 14.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.403 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' HD1' ' HB2' ' A' ' 66' ' ' PHE . 86.7 m-85 -114.71 146.56 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 3.9 111.974 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.5 ' ND1' ' HB3' ' A' ' 243' ' ' ASN . 15.3 m-70 -105.51 168.26 9.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.875 -0.602 . . . . 2.17 110.215 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.63 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 97.6 m95 -140.23 158.96 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 6.63 111.156 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.54 113.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.86 -0.609 . . . . 3.04 112.21 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.3 m -85.7 -22.39 27.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.689 0.28 . . . . 4.64 111.326 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.502 ' HG ' ' H ' ' A' ' 102' ' ' GLY . 21.0 tp -88.2 140.38 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 5.7 110.981 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.36 1.32 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 5.38 110.665 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.502 ' H ' ' HG ' ' A' ' 100' ' ' LEU . . . -117.11 -9.48 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.907 -0.663 . . . . 4.71 112.323 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -138.98 147.63 42.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 5.24 110.781 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.39 -61.86 0.12 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.8 -0.714 . . . . 2.08 112.548 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 63.6 m -109.13 163.67 13.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.599 0.238 . . . . 2.22 110.965 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.99 -77.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.447 -0.342 . . . . 2.64 111.174 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.0 166.57 22.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 2.79 111.099 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 113' ' ' LYS . 67.1 p -142.33 108.76 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 2.38 111.09 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.8 m -87.53 150.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.833 0.349 . . . . 2.7 110.991 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 t70 53.53 32.25 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 2.18 110.776 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 60.56 25.5 15.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.981 -0.554 . . . . 3.86 111.512 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -124.65 138.41 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 4.34 111.225 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.627 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 4.3 ttmp? -100.77 154.37 18.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.071 -0.513 . . . . 3.01 110.627 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -110.02 156.45 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 2.48 111.02 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.06 -21.29 20.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 2.1 111.935 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.01 144.81 28.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 1.99 111.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' H ' ' HB2' ' A' ' 96' ' ' HIS . 32.9 tt0 -152.65 133.32 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 2.4 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 145' ' ' ILE . 4.2 pp -86.96 148.03 25.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 2.52 110.907 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.49 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -120.07 99.88 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 1.93 111.254 -179.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 143' ' ' LEU . 2.8 tt -99.9 116.88 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 2.98 110.492 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.92 109.89 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 2.44 110.721 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.548 ' HA ' HG12 ' A' ' 91' ' ' ILE . 18.8 p80 -126.94 150.89 49.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 3.2 110.886 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -131.85 152.44 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 4.68 110.996 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.449 ' HB3' ' HG2' ' A' ' 126' ' ' LYS . 2.2 m-20 -58.71 149.67 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.543 . . . . 2.56 111.135 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -81.62 -15.03 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.758 -0.655 . . . . 2.19 111.336 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.449 ' HG2' ' HB3' ' A' ' 124' ' ' ASN . 21.4 ptmt -67.41 -36.16 80.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.437 -0.347 . . . . 4.02 111.033 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.481 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 61.2 m-85 -79.62 -29.71 41.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.366 -0.379 . . . . 4.5 110.673 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.21 -18.16 1.26 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.962 -0.637 . . . . 2.38 113.366 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.5 m-20 -142.02 145.31 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 3.07 111.051 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -67.38 -21.89 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.63 . . . . 3.61 110.825 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.66 -41.49 74.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 2.51 112.138 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -81.39 -17.51 48.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.021 0.438 . . . . 4.04 110.291 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.95 27.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 2.12 111.049 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -0.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 2.79 111.436 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.47 -27.29 62.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 4.15 110.982 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -122.92 151.83 61.78 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 3.37 111.024 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.34 -50.65 9.19 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.381 2.054 . . . . 2.89 111.786 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.64 1.41 34.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 2.64 110.824 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.481 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -48.97 -58.46 7.72 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.053 -0.594 . . . . 1.75 112.862 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.21 153.95 51.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 2.23 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -121.52 165.23 15.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.094 -0.503 . . . . 1.5 110.93 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.42 117.93 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 1.88 111.724 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 120' ' ' LEU . 95.2 mt -86.19 116.92 24.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.331 -0.395 . . . . 2.67 110.342 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.96 111.92 1.06 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.487 -0.863 . . . . 1.4 112.769 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.579 HD12 HD23 ' A' ' 118' ' ' LEU . 59.6 mt -92.49 120.82 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.309 . . . . 2.06 110.908 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -73.48 90.74 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 5.19 110.725 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.32 135.67 47.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 3.73 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.535 ' HB3' HD12 ' A' ' 215' ' ' ILE . 27.6 tptp -131.27 146.01 52.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 4.63 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.5 t -81.13 117.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 3.58 111.037 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.49 69.68 0.07 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.756 -0.735 . . . . 3.15 112.781 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' A' ' 217' ' ' VAL . 45.8 t -149.54 155.01 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 4.35 110.959 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.87 166.48 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.535 . . . . 4.28 111.095 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.506 ' HZ1' ' HA ' ' A' ' 157' ' ' GLN . 40.7 ttmt -104.98 136.44 19.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 5.57 110.711 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.43 18.23 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.408 2.072 . . . . 3.3 112.711 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 83.16 47.51 5.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 2.71 112.787 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.65 24.81 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.023 0.439 . . . . 4.34 110.411 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.506 ' HA ' ' HZ1' ' A' ' 153' ' ' LYS . 13.2 pt20 -59.16 -27.57 65.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.728 -0.669 . . . . 4.04 111.34 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -69.49 -33.73 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 5.16 110.896 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.3 -32.61 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 3.48 111.482 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.3 -19.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 3.6 111.276 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.8 -19.2 38.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 3.01 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 35.0 m -54.89 -17.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 3.02 112.243 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.5 -21.14 62.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 2.72 111.127 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.33 -14.32 4.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 2.42 110.631 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -86.24 -35.76 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 2.22 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 171' ' ' LYS . 3.2 mp -106.13 51.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.976 0.417 . . . . 3.02 110.676 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 228' ' ' LEU . 98.4 mttt -55.09 -48.4 73.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 4.14 110.577 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 53.3 p -101.23 161.14 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 2.82 110.599 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 169' ' ' LYS . 0.0 OUTLIER -78.82 147.86 33.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 3.97 110.582 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.52 -21.18 19.66 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.77 . . . . 2.38 112.638 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 166' ' ' ILE . 56.1 tptt -88.04 142.08 28.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 3.72 110.404 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.6 m -96.98 171.27 8.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 2.54 110.779 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.403 ' HB1' HD12 ' A' ' 166' ' ' ILE . . . -151.94 134.68 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 2.36 111.175 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 157.86 37.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -48.12 138.24 9.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.972 -0.558 . . . . 5.29 111.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.1 t -145.65 -172.8 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 5.01 110.827 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.69 55.73 3.87 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.884 0.373 . . . . 7.01 111.036 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -96.06 109.54 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 5.44 110.812 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -149.9 83.22 6.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 3.92 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.33 -12.78 37.1 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.47 2.113 . . . . 5.03 112.76 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -71.78 -25.14 61.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 9.4 110.788 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -86.02 37.03 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 3.43 112.419 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.75 -15.4 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 6.25 110.603 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.65 128.94 80.76 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 5.0 110.551 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.32 136.82 10.21 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.4 2.067 . . . . 4.45 112.558 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.5 -12.01 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 6.38 110.62 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 78.4 p -155.89 159.18 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 5.39 110.692 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.502 HD12 ' HG3' ' A' ' 46' ' ' PRO . 38.9 tp -130.66 100.84 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 4.68 111.039 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -174.02 163.42 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 3.78 110.726 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -139.8 179.9 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.395 . . . . 3.57 110.763 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.445 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 12.7 t-105 -166.3 132.82 2.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 4.84 110.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.0 t -136.15 145.34 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 2.03 111.679 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 194' ' ' PRO . 80.7 t80 -158.98 88.74 2.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.992 -0.549 . . . . 3.02 110.557 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 193' ' ' TYR . 10.9 Cg_endo -54.23 149.12 37.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.641 2.227 . . . . 1.7 112.44 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -149.71 174.43 29.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.885 -0.674 . . . . 1.85 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 50.1 m -121.7 168.22 12.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.953 0.406 . . . . 2.97 110.984 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.04 174.58 6.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 6.37 110.494 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 63.8 p -74.79 3.54 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 5.44 110.818 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 81.1 p -89.52 162.42 36.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 5.31 110.986 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 2.7 Cg_endo -41.5 151.06 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.819 2.346 . . . . 6.09 112.329 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.59 79.28 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 6.63 112.713 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.8 tp -174.95 31.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.419 . . . . 5.85 110.968 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 98.7 mt -149.34 31.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 5.45 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . 0.523 ' HB3' HG12 ' A' ' 22' ' ' ILE . 42.8 tt0 -84.0 86.27 7.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.956 -0.565 . . . . 3.98 110.543 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 86.3 m -135.41 23.03 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 3.13 110.871 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.49 126.2 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.571 . . . . 2.42 111.163 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 13.5 m -113.25 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.403 -0.362 . . . . 1.8 110.801 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -98.06 108.12 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 3.11 111.095 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 143' ' ' LEU . 4.1 mm -108.23 157.47 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.847 -0.615 . . . . 2.13 110.887 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 57.0 t -127.0 99.28 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 2.73 110.982 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 145' ' ' ILE . 96.5 mt -63.92 167.98 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 4.37 111.204 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -88.03 -6.69 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 6.2 111.036 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 145' ' ' ILE . 14.7 tp10 -57.55 134.89 82.22 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.265 -0.425 . . . . 5.91 110.866 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . 0.415 ' HD2' ' OE1' ' A' ' 213' ' ' GLU . 14.5 Cg_endo -56.52 150.27 52.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.663 2.242 . . . . 4.22 112.624 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 148' ' ' LYS . 28.9 pt -86.23 172.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 4.88 111.272 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 47.6 t -47.75 172.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.072 -0.513 . . . . 3.8 111.847 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' A' ' 151' ' ' SER . 26.9 m -98.82 177.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 3.0 111.538 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 42.4 t -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 3.66 111.104 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.5 p -67.99 -16.66 64.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 3.12 110.579 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -85.9 -22.13 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 4.51 110.384 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.26 -15.43 35.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 4.63 111.298 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 225' ' ' PHE . 34.9 m -89.1 30.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.513 -0.312 . . . . 2.92 111.734 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.22 -43.66 83.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.861 0.362 . . . . 3.21 110.897 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 4.23 110.786 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . 0.615 ' HB2' ' HB ' ' A' ' 222' ' ' VAL . 48.3 m-85 -70.47 -17.43 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 4.01 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.433 ' HG2' ' HA3' ' A' ' 234' ' ' GLY . 96.1 mtt180 -65.51 -11.18 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 5.4 110.975 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -86.54 -3.84 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 3.8 110.908 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 167' ' ' LYS . 97.7 mt -93.44 162.04 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.519 . . . . 3.46 111.335 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.83 -159.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 3.16 110.494 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 239' ' ' LEU . 7.4 m-85 -47.67 -28.63 2.5 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.701 0.26 . . . . 6.2 111.701 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -70.53 7.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.889 0.329 . . . . 4.89 111.889 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -145.88 156.17 26.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.457 -0.878 . . . . 4.09 112.534 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -86.9 152.46 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.747 0.308 . . . . 7.57 110.873 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . 0.433 ' HA3' ' HG2' ' A' ' 226' ' ' ARG . . . 93.72 21.51 28.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 6.57 113.2 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.26 101.92 53.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.719 0.259 . . . . 5.7 111.106 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.03 157.25 62.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.437 2.091 . . . . 7.04 112.39 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.92 29.05 13.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 6.78 111.021 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.87 118.0 8.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 5.03 111.012 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 230' ' ' PHE . 90.7 mt -69.45 102.04 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 5.59 110.801 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -85.65 -12.63 50.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.926 0.394 . . . . 5.6 110.787 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.9 146.78 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.937 -0.574 . . . . 3.98 111.119 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.58 -40.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 3.67 110.424 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.63 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 10.7 m120 -100.2 55.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 4.18 110.686 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -96.99 144.14 27.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 3.85 111.116 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -141.16 118.36 7.69 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.808 -0.633 . . . . 4.15 110.992 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.44 169.63 18.07 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.29 1.994 . . . . 2.75 112.217 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -146.58 161.9 39.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.392 . . . . 3.18 111.601 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.72 143.64 41.24 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.074 -0.512 . . . . 5.96 110.665 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.49 123.74 3.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.533 2.155 . . . . 4.47 112.634 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . 0.412 ' HB2' HG11 ' A' ' 31' ' ' VAL . 48.6 tp -80.27 -43.61 21.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 4.44 110.973 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm 69.91 9.04 6.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.685 -0.689 . . . . 7.2 110.825 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -139.46 176.58 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 5.62 111.005 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 65.37 145.25 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.034 -0.53 . . . . 6.22 111.653 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -102.97 152.53 21.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.863 -0.608 . . . . 3.56 110.719 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.513 HG13 HG23 ' A' ' 33' ' ' ILE . 2.5 mm -90.73 146.27 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 2.59 111.174 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -125.81 89.34 3.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 3.38 110.66 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.14 173.98 6.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 1.68 111.489 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.3 t -78.66 -39.47 36.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 2.4 110.566 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.74 138.68 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 3.83 110.669 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.086 -0.959 . . . . 4.92 111.369 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.388 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ppp? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.896 0.379 . . . . 33.06 111.063 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -129.75 136.55 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 30.18 110.95 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -133.61 -59.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 30.03 110.767 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -146.36 129.15 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 27.02 110.79 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -117.5 144.92 44.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 25.84 110.926 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.23 115.28 4.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.836 -0.697 . . . . 23.39 112.536 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -158.3 -55.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 23.38 110.737 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.69 84.88 1.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 19.99 112.365 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -71.19 -29.87 65.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 19.51 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -75.42 0.89 15.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 18.49 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.15 -10.67 16.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 18.8 110.702 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.05 155.12 21.87 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.87 -0.681 . . . . 16.54 112.458 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.82 147.47 62.55 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.401 2.067 . . . . 16.15 112.427 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -129.72 -68.39 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 15.32 111.013 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.25 96.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 16.15 110.991 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -62.88 -15.74 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.315 -0.402 . . . . 11.77 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' HD1' ' HA ' ' A' ' 24' ' ' LYS . 71.2 m-70 -83.58 -34.93 25.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 13.21 110.664 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -74.92 -19.97 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 16.22 111.01 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.82 -48.13 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 12.96 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -125.35 118.67 24.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 10.55 110.852 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.69 -5.25 12.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.24 1.96 . . . . 10.34 112.043 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' A' ' 204' ' ' GLU . 54.9 mt -62.08 -47.43 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 8.43 110.794 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.96 -25.69 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.935 -0.575 . . . . 9.55 110.533 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.596 ' HA ' ' HD1' ' A' ' 17' ' ' HIS . 60.8 tttp -70.83 -14.23 62.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.569 . . . . 13.54 110.506 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.08 120.55 1.09 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.818 -0.706 . . . . 8.88 112.553 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.69 91.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 8.92 110.812 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -99.49 2.58 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 10.3 110.662 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 198' ' ' THR . 26.5 mp0 -75.74 91.53 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 6.98 110.575 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.1 m -158.6 146.17 13.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 3.85 110.958 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 246' ' ' PRO . 74.4 Cg_endo -76.01 132.75 14.41 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.472 2.115 . . . . 3.29 112.091 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.87 141.27 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 2.72 110.762 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 6.7 p-10 -92.57 99.04 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 2.44 111.028 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 HG12 HD12 ' A' ' 255' ' ' ILE . 3.9 mp -80.63 127.31 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.514 . . . . 1.95 110.758 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.582 ' HB2' HG22 ' A' ' 37' ' ' THR . 7.0 m-20 -112.15 129.56 56.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.53 111.016 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p -56.75 -26.34 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.615 -0.721 . . . . 2.28 111.594 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.48 -40.75 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 4.16 110.982 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.582 HG22 ' HB2' ' A' ' 34' ' ' ASP . 11.7 t -87.04 -10.1 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 2.26 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.558 ' HA ' HG22 ' A' ' 255' ' ' ILE . . . -62.6 157.34 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 1.59 111.048 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -140.69 118.37 11.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 4.1 111.025 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -72.28 136.36 46.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 4.34 110.623 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -115.96 94.33 41.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 3.04 111.167 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.22 27.63 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.448 2.099 . . . . 2.51 112.239 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -79.03 -0.11 29.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 3.54 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.07 139.87 32.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 3.49 110.76 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 24.7 mtpp -91.08 157.01 43.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 4.66 110.621 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 11.3 Cg_endo -54.74 157.68 12.16 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.486 2.124 . . . . 2.89 112.333 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.0 pt? -125.66 134.52 51.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 5.61 111.074 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.3 m -80.54 151.85 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.968 -0.56 . . . . 3.01 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.31 143.44 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 2.88 111.139 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -113.45 136.34 52.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 2.94 110.949 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -165.59 33.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 5.23 111.304 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.81 -23.33 31.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 4.17 110.258 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -95.64 -12.12 26.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.738 -0.664 . . . . 5.15 110.625 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -48.91 120.52 3.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.207 -0.451 . . . . 2.19 111.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -90.85 128.95 36.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 2.31 111.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -170.75 105.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 2.24 110.38 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.6 mp -102.09 -39.14 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.62 -0.264 . . . . 4.0 111.247 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 20.7 tpt180 -176.37 165.35 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 5.17 110.758 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 42.4 pt -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 2.2 110.938 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.8 tp -92.63 147.35 22.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 3.06 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.18 157.06 16.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 2.16 110.62 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -106.3 17.59 23.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 3.54 111.491 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.13 0.51 61.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 2.67 111.961 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -137.44 -58.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 5.03 110.406 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.9 149.41 36.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 2.49 110.671 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -126.21 138.22 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.041 0.448 . . . . 3.96 111.452 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -121.64 153.05 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 3.14 110.078 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' HA ' HG22 ' A' ' 59' ' ' ILE . 29.9 m -91.24 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 2.51 111.292 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.42 107.19 8.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 3.84 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -93.37 141.64 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 4.98 110.629 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.04 136.55 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 3.04 110.578 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -132.36 23.43 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 3.88 110.821 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.1 p -59.02 -39.43 81.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 3.52 111.306 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.428 ' HG2' ' HZ1' ' A' ' 76' ' ' LYS . 4.0 pt20 -135.25 28.9 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 4.49 111.512 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 59.13 88.39 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 2.84 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 47.3 mmtm -73.85 -73.84 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 3.74 110.995 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' HB1' ' A' ' 54' ' ' ALA . . . -101.09 152.62 20.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.939 -0.573 . . . . 1.97 111.322 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 79' ' ' LEU . 8.9 p -146.51 165.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 2.27 110.717 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' N ' HG22 ' A' ' 78' ' ' VAL . 19.8 tp -134.52 122.08 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.525 -0.307 . . . . 2.78 110.736 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.627 ' HD2' ' HB ' ' A' ' 87' ' ' THR . 82.6 tttt -159.31 138.43 11.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 3.11 111.06 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' HB2' ' A' ' 47' ' ' LEU . . . 175.6 -155.09 19.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.822 -0.704 . . . . 2.5 112.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.79 -158.19 8.31 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.743 -0.741 . . . . 2.96 112.761 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.6 -41.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.685 2.257 . . . . 4.5 112.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.15 156.26 15.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 3.36 111.19 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.72 18.83 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 5.04 110.707 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.96 82.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 2.03 112.259 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.627 ' HB ' ' HD2' ' A' ' 80' ' ' LYS . 9.8 t -57.98 136.96 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 2.23 111.436 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.588 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 77.6 m-85 -111.42 131.24 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 3.57 110.678 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 122' ' ' HIS . 16.7 ptm180 -97.81 144.37 27.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 4.36 110.834 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.639 HD21 ' H ' ' A' ' 90' ' ' LEU . 1.7 pt? -100.09 142.89 30.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 3.01 110.598 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.547 HD11 ' N ' ' A' ' 91' ' ' ILE . 3.9 mp -113.78 -70.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 2.89 111.493 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.11 172.17 18.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.76 0.314 . . . . 3.0 111.109 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -152.95 159.25 42.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 1.76 111.355 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 4.5 p-80 -128.3 166.17 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.736 -0.666 . . . . 1.36 110.18 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -111.25 150.15 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 3.9 110.38 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -96.31 145.95 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 2.17 110.961 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB3' ' HA ' ' A' ' 241' ' ' VAL . 7.3 m-90 -63.37 136.93 57.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 6.63 111.087 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 241' ' ' VAL . . . 179.59 108.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.96 -0.638 . . . . 3.04 112.25 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.568 ' H ' HG13 ' A' ' 241' ' ' VAL . 47.0 t -91.97 -35.27 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 4.64 111.075 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.7 mt -88.73 150.95 22.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 5.7 111.129 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -93.65 -0.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 5.38 110.855 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.83 -17.02 36.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.784 -0.722 . . . . 4.71 111.94 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 3.8 pt20 -139.45 148.17 42.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.681 0.277 . . . . 5.24 110.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.68 -60.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.524 -0.846 . . . . 2.08 112.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -80.8 168.75 18.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 2.22 111.11 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.68 16.92 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 2.64 110.927 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.408 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 50.0 m80 -143.52 169.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 2.79 110.618 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.415 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 42.8 m -137.26 80.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 2.38 111.318 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.467 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 26.0 m -84.66 148.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 2.7 110.521 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 32.74 21.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 2.18 110.404 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 59.35 22.5 10.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 3.86 111.062 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -136.36 151.68 49.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 4.34 110.807 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.65 ' HB2' ' HZ1' ' A' ' 113' ' ' LYS . 4.8 ttmp? -114.79 133.7 55.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 3.01 110.55 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -71.72 166.5 21.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 2.48 110.852 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.37 -28.09 22.4 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 2.1 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -175.4 176.23 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 1.99 110.822 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.35 152.84 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 2.4 111.104 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD11 ' HB ' ' A' ' 145' ' ' ILE . 67.4 mt -88.89 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 2.52 111.086 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 95.42 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 1.93 111.259 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 143' ' ' LEU . 40.9 tp -102.34 136.26 42.49 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.194 -0.298 . . . . 2.98 110.194 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.497 HG23 HD13 ' A' ' 91' ' ' ILE . 22.1 m -112.4 147.56 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 2.44 111.73 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 31.8 m-70 -131.69 152.65 50.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.2 110.677 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -137.85 149.63 46.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.076 0.465 . . . . 4.68 111.096 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -76.09 111.83 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.708 -0.678 . . . . 2.56 110.529 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 t -84.67 -14.98 46.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.293 -0.412 . . . . 2.19 111.958 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -63.27 -32.23 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 4.02 110.854 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.09 -17.06 47.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 4.5 111.148 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.17 -26.41 19.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 2.38 113.17 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -143.25 146.83 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 3.07 111.233 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 134' ' ' VAL . 42.5 p90 -65.26 -21.27 66.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 3.61 110.79 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.05 95.96 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.512 -0.852 . . . . 2.51 111.768 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.72 -17.32 59.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 4.04 110.246 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.29 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 2.12 110.446 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 130' ' ' PHE . 8.5 t -77.14 -2.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 2.79 110.67 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.1 -15.43 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 4.15 110.764 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -147.43 152.98 43.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.37 110.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.67 -10.83 29.62 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.552 2.168 . . . . 2.89 112.573 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.06 9.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 2.64 110.778 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.55 -16.32 40.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.816 -0.706 . . . . 1.75 112.308 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 140' ' ' LEU . 1.1 pt? -140.14 126.22 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 2.23 110.825 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.36 160.71 24.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 1.5 111.006 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.72 112.16 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.88 111.242 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 120' ' ' LEU . 50.8 tp -90.24 144.35 25.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 2.67 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -120.82 125.95 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.937 -0.649 . . . . 1.4 112.221 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.464 ' HB ' HD11 ' A' ' 118' ' ' LEU . 63.5 mt -119.17 140.07 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 2.06 111.223 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.9 82.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.981 -0.554 . . . . 5.19 111.204 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 3.73 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -112.45 156.49 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 4.63 110.826 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.23 126.09 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 3.58 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -176.33 -102.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.421 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.4 t -160.42 -177.43 6.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.756 0.312 . . . . 4.35 110.898 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.27 -52.69 5.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 4.28 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -106.3 151.4 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 5.57 111.058 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.71 1.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.684 2.256 . . . . 3.3 112.474 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.7 -48.66 3.37 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.722 -0.751 . . . . 2.71 112.831 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 65.4 mt 60.69 29.08 18.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.359 . . . . 4.34 110.904 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.26 -56.99 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 4.04 110.76 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -71.45 -20.65 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 5.16 110.736 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.99 -22.85 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 3.48 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.49 -37.38 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 3.6 111.08 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.74 -47.1 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 3.01 110.993 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 166' ' ' ILE . 27.7 m -76.03 -26.26 17.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 3.02 111.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 164' ' ' ASP . 2.5 tt -65.4 -52.8 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 2.72 111.234 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.447 ' N ' HD21 ' A' ' 163' ' ' LEU . 17.7 t70 -54.93 -17.66 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 2.42 110.592 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.6 t -85.81 -42.17 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 2.22 110.526 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.573 HG21 ' HB2' ' A' ' 173' ' ' ALA . 23.6 pt -94.14 45.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 3.02 111.236 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.64 -48.44 66.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 4.14 110.711 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.602 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 29.8 p -107.79 148.42 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.763 -0.653 . . . . 2.82 110.626 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -63.48 139.24 58.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.742 0.306 . . . . 3.97 110.583 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 102.39 2.23 50.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.811 -0.709 . . . . 2.38 112.587 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -109.57 152.04 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 3.72 111.007 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.6 p -105.35 162.57 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 2.54 110.612 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.573 ' HB2' HG21 ' A' ' 166' ' ' ILE . . . -129.08 130.51 46.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 2.36 111.149 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.39 114.64 3.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.435 -0.348 . . . . 3.74 110.982 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -154.63 139.64 17.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 5.29 110.754 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 t -160.36 -173.86 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 5.01 110.751 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 54.35 56.74 6.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.056 0.455 . . . . 7.01 110.695 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -87.42 143.93 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 5.44 111.038 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.46 89.67 13.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.537 . . . . 3.92 111.042 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 -8.09 17.62 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.501 2.134 . . . . 5.03 112.561 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.06 -19.36 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 9.4 110.783 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -76.5 -11.18 85.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 3.43 112.544 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.83 18.21 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 6.25 110.583 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 185' ' ' PRO . 51.9 tp -64.84 117.25 36.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 5.0 111.112 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.504 ' HB3' ' HD3' ' A' ' 214' ' ' PRO . 89.3 Cg_endo -80.8 133.84 9.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.506 2.137 . . . . 4.45 112.456 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.68 -10.62 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 6.38 110.849 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.9 m -121.61 156.53 32.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 5.39 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.28 144.34 44.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 4.68 111.0 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -176.7 144.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.514 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.687 ' HH ' ' HD3' ' A' ' 212' ' ' LYS . 84.5 m-85 -135.04 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 3.57 110.724 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.577 ' HA ' ' HB2' ' A' ' 257' ' ' ALA . 74.5 t90 -176.24 114.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 4.84 110.23 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.441 ' HG1' ' H ' ' A' ' 193' ' ' TYR . 4.5 t -129.16 163.95 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 2.03 111.5 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . 0.441 ' H ' ' HG1' ' A' ' 192' ' ' THR . 53.3 t80 -146.73 75.62 12.0 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 3.02 110.671 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.78 136.56 6.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.661 2.241 . . . . 1.7 112.307 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 153.31 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.654 -0.784 . . . . 1.85 112.671 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.56 ' HA ' HD11 ' A' ' 203' ' ' LEU . 77.6 p -151.87 137.99 18.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 2.97 111.256 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.596 ' H ' HD21 ' A' ' 203' ' ' LEU . 60.0 mt -111.16 -179.61 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 6.37 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 28' ' ' GLN . 4.4 m -90.37 23.34 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 5.44 110.55 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 31.1 p -96.53 157.07 35.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.76 -0.655 . . . . 5.31 111.156 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 202' ' ' LEU . 88.8 Cg_exo -46.93 160.66 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.725 2.283 . . . . 6.09 112.329 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 202' ' ' LEU . 53.6 Cg_exo -52.86 85.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.721 2.281 . . . . 6.63 112.518 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 201' ' ' PRO . 25.3 tp 177.13 52.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 5.85 109.772 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.596 HD21 ' H ' ' A' ' 197' ' ' LEU . 2.1 pp -135.16 27.48 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.697 -0.683 . . . . 5.45 111.153 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . 0.438 ' HB3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.77 3.16 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 3.98 111.012 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.7 m -148.01 47.58 1.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 3.13 111.52 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.35 122.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.94 0.4 . . . . 2.42 111.718 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 91.6 m -113.3 140.56 47.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 1.8 110.438 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -100.64 115.54 30.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 3.11 110.966 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 209' ' ' ILE . 4.4 mp -117.21 155.2 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 2.13 110.741 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.37 139.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 2.73 110.853 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.73 132.78 46.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 4.37 110.834 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.687 ' HD3' ' HH ' ' A' ' 190' ' ' TYR . 63.3 pttt -71.33 -9.95 58.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.248 -0.433 . . . . 6.2 111.228 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -70.67 162.18 72.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 5.91 110.759 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 185' ' ' PRO . 78.7 Cg_exo -48.1 142.49 15.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.397 2.065 . . . . 4.22 112.507 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 20.0 mt -79.92 149.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 4.88 111.44 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' SER . . . . . 0.486 ' HG ' ' H ' ' A' ' 217' ' ' VAL . 40.8 t -65.18 173.21 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 3.8 110.718 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.486 ' H ' ' HG ' ' A' ' 216' ' ' SER . 31.2 m -99.04 177.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 3.0 110.76 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.0 t -102.72 170.8 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 3.66 111.554 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 45.0 t -52.59 -37.99 59.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 3.12 110.903 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.74 -29.5 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 4.51 111.265 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.98 -21.37 24.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 4.63 111.347 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 18.2 m -117.04 31.06 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 2.92 111.676 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.54 -28.13 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 3.21 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 34.8 mtmm -86.46 -22.88 26.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 4.23 111.133 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . 0.6 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 78.4 t80 -84.07 -29.81 26.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 4.01 110.945 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 226' ' ' ARG . 2.8 mmp_? -69.62 -1.05 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 5.4 111.611 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 96.1 mttt -69.91 -8.86 52.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.702 0.287 . . . . 3.8 111.099 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.13 161.92 6.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.411 . . . . 3.46 111.127 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -93.27 139.87 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 3.16 111.047 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -89.5 3.46 52.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 6.2 110.851 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -166.09 122.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 4.89 110.6 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . 0.602 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . -76.57 171.66 54.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.581 -0.818 . . . . 4.09 112.428 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.83 142.35 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 7.57 110.723 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 68.8 10.96 62.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 6.57 112.33 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -101.83 149.99 36.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.401 0.143 . . . . 5.7 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.54 136.93 65.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.508 2.139 . . . . 7.04 112.12 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.26 101.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 6.78 111.105 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -113.29 121.89 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 5.03 110.702 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 242' ' ' ASP . 61.0 tp -66.48 146.91 54.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 5.59 111.034 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 61.8 mtt -47.12 -64.12 0.86 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.19 -0.459 . . . . 5.6 111.007 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.568 HG13 ' H ' ' A' ' 99' ' ' SER . 2.3 p -141.47 144.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 3.98 111.434 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . 0.422 ' HB3' HD22 ' A' ' 239' ' ' LEU . 5.1 p-10 -162.76 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.704 . . . . 3.67 110.081 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.51 56.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 4.18 110.692 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -97.0 167.9 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 3.85 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -136.74 158.11 73.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 4.15 111.086 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' PRO . 50.3 Cg_exo -54.37 173.13 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.478 2.119 . . . . 2.75 112.465 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -145.13 31.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.18 110.97 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -69.01 119.27 68.76 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.162 -0.472 . . . . 5.96 110.955 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.57 136.5 21.46 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.369 2.046 . . . . 4.47 112.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 49.7 mt -80.17 -48.92 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 4.44 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -177.0 -63.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 7.2 110.542 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . 0.42 HD22 HG23 ' A' ' 37' ' ' THR . 3.8 t-20 -168.88 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 5.62 110.666 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 60.59 158.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.115 0.483 . . . . 6.22 111.634 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -108.68 143.23 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 3.56 110.481 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.558 HG22 ' HA ' ' A' ' 38' ' ' ALA . 10.8 tp -92.28 144.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 2.59 111.429 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -112.77 73.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 3.38 110.402 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -109.83 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 1.68 111.13 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 190' ' ' TYR . 48.5 t -76.85 -43.32 36.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.11 -0.495 . . . . 2.4 110.287 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -112.91 176.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 3.83 111.169 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 4.92 111.075 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.483 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.697 0.284 . . . . 33.06 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -157.55 24.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 30.18 111.12 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -147.9 -7.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 30.03 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -75.79 -0.41 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 27.02 111.041 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -107.49 141.7 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 25.84 110.705 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.04 57.63 0.26 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.863 -0.684 . . . . 23.39 112.318 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -102.24 119.3 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 23.38 110.874 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.41 -45.38 0.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.638 -0.792 . . . . 19.99 112.869 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -80.82 -38.03 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 19.51 111.221 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -67.25 -29.85 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 18.49 111.095 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -111.46 26.6 10.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 18.8 111.136 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.33 76.27 0.41 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.664 -0.779 . . . . 16.54 112.672 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.39 101.09 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.547 2.165 . . . . 16.15 112.093 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -80.83 -170.81 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 15.32 110.961 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 58.51 75.14 0.4 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.04 -0.527 . . . . 16.15 110.967 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -58.01 -26.3 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 11.77 110.841 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.76 -38.96 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 13.21 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -98.0 10.98 39.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 16.22 111.254 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.86 -52.12 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 12.96 110.573 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -94.61 149.63 36.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 10.55 110.681 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 43.2 1.45 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.597 2.198 . . . . 10.34 112.777 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 mm -76.02 -43.23 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 8.43 110.814 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.07 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 9.55 110.605 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.5 -13.29 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 13.54 110.517 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.29 116.39 9.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 8.88 112.33 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -77.4 112.35 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 8.92 110.818 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HG2' HD11 ' A' ' 203' ' ' LEU . 80.0 mtp180 -88.44 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 10.3 110.668 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.31 124.34 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 6.98 111.027 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 116.2 66.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 3.85 110.819 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 51.4 Cg_exo -54.21 135.64 65.48 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.385 2.057 . . . . 3.29 112.227 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.08 163.45 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.212 -0.449 . . . . 2.72 110.696 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.73 98.74 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 2.44 111.025 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 33' ' ' ILE . 3.3 mp -78.0 125.9 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 1.95 110.748 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -112.74 127.47 56.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.53 111.04 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.6 m -80.24 -26.16 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 2.28 110.628 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.94 -40.89 83.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 4.16 111.01 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 255' ' ' ILE . 11.6 t -81.23 -14.8 57.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 2.26 111.051 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 157.46 27.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 1.59 111.116 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -125.97 120.78 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 4.1 110.948 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -57.1 123.51 15.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 4.34 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -119.63 95.42 49.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 3.04 110.944 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 -6.76 16.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.394 2.063 . . . . 2.51 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.8 m -60.85 -45.57 94.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 3.54 110.907 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -72.46 133.22 44.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 3.49 110.855 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.85 152.21 50.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 4.66 110.718 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.6 127.81 22.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.542 2.161 . . . . 2.89 112.366 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.02 172.99 1.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 5.61 111.288 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 60.7 m -135.53 150.45 49.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 3.01 110.772 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.78 137.75 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 2.88 111.388 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 78' ' ' VAL . 53.2 m -113.54 145.68 40.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 2.94 110.96 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -166.46 57.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 5.23 110.882 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.86 -42.49 14.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.563 . . . . 4.17 109.827 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.91 -3.75 31.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 5.15 110.357 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' A' ' 77' ' ' ALA . . . -51.08 121.05 5.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.479 . . . . 2.19 111.194 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 m -149.68 142.29 24.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.31 111.267 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -86.89 149.79 24.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.057 -0.519 . . . . 2.24 110.37 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 tp -117.91 -38.86 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 4.0 111.825 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -167.76 162.69 13.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.347 . . . . 5.17 111.279 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 59' ' ' ILE . 23.4 pt -128.96 104.58 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.119 -0.491 . . . . 2.2 111.04 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.9 tp -113.34 153.68 28.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.181 -0.463 . . . . 3.06 111.403 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.451 HD21 ' HG3' ' A' ' 169' ' ' LYS . 1.9 m-20 -110.93 162.14 15.13 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.909 -0.587 . . . . 2.16 110.684 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.82 15.35 25.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 3.54 111.832 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 14.29 61.47 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.507 -0.854 . . . . 2.67 112.562 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 12.7 p80 -175.23 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 5.03 110.303 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 137.19 53.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 2.49 109.766 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 94' ' ' HIS . 37.7 p90 -120.1 133.79 55.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 3.96 111.114 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -109.01 101.3 10.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.92 -0.582 . . . . 3.14 110.216 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.412 ' HB ' HG23 ' A' ' 59' ' ' ILE . 24.9 m -119.24 147.28 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 2.51 111.412 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -175.07 -96.04 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.294 -0.412 . . . . 3.84 110.934 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -138.06 175.36 9.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.697 0.284 . . . . 4.98 110.728 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.434 ' HB2' ' HZ1' ' A' ' 76' ' ' LYS . 21.8 m-20 -67.69 135.62 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 3.04 110.895 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.24 -11.15 24.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 3.88 110.965 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 t -54.9 -40.2 69.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 3.52 110.987 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -126.0 173.69 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 4.49 110.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.52 51.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 2.84 111.07 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 6.2 ptpp? -69.52 -7.03 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.062 -0.517 . . . . 3.74 110.968 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HB3' ' HB1' ' A' ' 54' ' ' ALA . . . -155.36 120.2 4.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.136 -0.484 . . . . 1.97 110.995 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 50' ' ' SER . 32.6 m -121.53 167.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 2.27 111.021 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 tt -142.55 141.52 32.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 2.78 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 96.8 mttt -117.1 168.99 9.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 3.11 110.556 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.76 30.53 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 2.5 112.642 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -165.34 30.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.762 -0.732 . . . . 2.96 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.01 -10.23 27.88 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.523 2.149 . . . . 4.5 112.376 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.37 149.47 42.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 3.36 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -91.17 0.26 57.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 5.04 110.771 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.89 72.5 2.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.721 . . . . 2.03 112.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -66.32 129.35 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 2.23 111.795 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.461 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 48.1 m-85 -92.79 120.56 33.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 3.57 110.171 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB2' ' HB ' ' A' ' 125' ' ' THR . 56.2 ttp180 -66.37 136.68 56.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.318 . . . . 4.36 111.14 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.42 139.85 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 3.01 110.368 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -80.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.46 -0.336 . . . . 2.89 111.73 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -151.01 171.15 17.76 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.639 0.257 . . . . 3.0 110.907 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 31.3 p90 -138.64 144.92 39.9 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.977 0.418 . . . . 1.76 111.262 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.548 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.4 p-80 -117.66 168.07 10.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.804 -0.634 . . . . 1.36 110.732 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -120.61 154.12 35.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.958 0.409 . . . . 3.9 111.91 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -112.06 161.97 15.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.855 -0.611 . . . . 2.17 110.445 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.9 m-90 -140.56 109.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.701 0.286 . . . . 6.63 110.899 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 151.81 36.66 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.67 -0.776 . . . . 3.04 112.68 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.465 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 85.1 p -72.47 -15.51 61.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.824 0.345 . . . . 4.64 110.869 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.69 137.07 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 5.7 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.22 17.02 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 5.38 110.938 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.98 -42.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 4.71 112.301 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 3.7 pt20 -167.86 143.22 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 5.24 110.861 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.96 58.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 2.08 112.582 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 t -104.81 151.59 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.635 0.255 . . . . 2.22 110.782 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.42 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.64 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -85.46 168.29 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 2.79 110.767 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.4 p -139.49 108.18 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 2.38 111.008 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 32.6 m -93.13 156.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 2.7 111.265 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.81 30.6 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.824 -0.625 . . . . 2.18 111.18 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 58.79 22.62 10.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 3.86 111.155 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -126.08 149.09 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 4.34 110.804 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.78 150.65 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 3.01 110.955 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.27 171.88 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 2.48 110.44 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -61.65 -54.16 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 2.1 111.037 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.61 -179.58 7.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 1.99 110.726 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -152.51 134.0 14.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 2.4 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 147' ' ' LEU . 3.5 pp -86.85 147.73 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 2.52 110.292 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.548 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 8.4 m170 -117.82 121.53 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 1.93 111.816 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 143' ' ' LEU . 1.1 mp -105.82 142.85 34.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 2.98 110.481 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 t -111.37 138.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.071 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 74.0 m80 -131.8 132.94 44.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 3.2 111.002 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -129.78 139.76 51.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 4.68 110.676 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -56.35 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.867 -0.606 . . . . 2.56 111.27 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 89' ' ' ARG . 4.2 t -74.57 -15.08 60.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 2.19 110.707 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -57.5 -33.38 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 4.02 110.651 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -89.4 -20.96 23.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 4.5 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.4 -12.25 51.99 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 2.38 112.267 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -141.59 145.47 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 3.07 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -72.53 -19.36 61.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 3.61 110.858 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -54.69 -42.39 77.57 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.766 -0.731 . . . . 2.51 112.471 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.87 -17.35 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 4.04 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.56 67.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 2.12 110.856 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.532 ' HA ' HD21 ' A' ' 140' ' ' LEU . 19.3 m -75.32 -7.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 2.79 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -82.11 8.74 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 4.15 111.308 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 139' ' ' GLY . 3.7 pt20 -158.98 140.47 9.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.473 -0.331 . . . . 3.37 110.878 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.63 -19.87 66.63 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.533 2.156 . . . . 2.89 112.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -102.58 22.07 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 2.64 110.944 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.43 ' N ' ' HG3' ' A' ' 136' ' ' GLN . . . -108.65 -17.62 10.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.843 -0.694 . . . . 1.75 112.423 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 134' ' ' VAL . 1.6 pt? -139.64 128.17 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 2.23 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.38 122.08 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.5 110.844 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -94.21 108.7 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.88 111.172 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 211' ' ' LEU . 20.4 tp -85.99 144.41 27.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 2.67 110.439 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.69 132.8 6.75 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.515 -0.85 . . . . 1.4 113.03 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 118' ' ' LEU . 68.0 mt -128.81 110.18 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 2.06 110.813 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -63.63 159.45 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 5.19 110.789 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 118' ' ' LEU . 89.8 mt -132.66 125.1 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.73 110.868 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -116.77 143.78 45.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 4.63 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.6 t -93.73 147.44 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 3.58 110.921 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.73 19.35 9.25 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.722 -0.752 . . . . 3.15 112.648 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.5 m -122.72 107.03 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 4.35 110.843 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' A' ' 218' ' ' SER . . . -59.35 137.66 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 4.28 111.13 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.478 ' HB2' HD11 ' A' ' 156' ' ' LEU . 17.1 pttp -68.08 134.53 91.64 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.233 -0.44 . . . . 5.57 110.746 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 26.8 Cg_exo -62.87 -0.49 2.09 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.526 2.151 . . . . 3.3 112.368 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 153' ' ' LYS . . . 133.76 62.21 0.07 OUTLIER Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.829 -0.7 . . . . 2.71 112.424 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 153' ' ' LYS . 8.4 mp -114.86 26.16 10.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.759 0.314 . . . . 4.34 110.781 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.92 -46.16 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 4.04 111.177 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -54.84 -44.21 73.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 5.16 111.315 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.15 -26.93 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 3.48 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.98 -31.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 3.6 111.223 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.76 -42.34 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 3.01 110.784 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.88 -23.36 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 3.02 111.143 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 164' ' ' ASP . 4.1 tt -69.28 -53.85 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 2.72 111.309 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.451 ' N ' HD23 ' A' ' 163' ' ' LEU . 21.1 t70 -56.34 -13.06 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 2.42 110.988 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 34.3 t -84.76 -44.01 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 2.22 111.425 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 1.6 pp -130.22 47.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.966 0.412 . . . . 3.02 111.363 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -66.97 -47.83 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 4.14 111.588 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.428 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 40.1 p -72.62 151.94 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.378 . . . . 2.82 111.522 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.451 ' HG3' HD21 ' A' ' 61' ' ' ASN . 4.9 mptp? -72.28 148.05 45.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 3.97 111.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.43 -21.11 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.866 -0.683 . . . . 2.38 112.39 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -109.08 177.15 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 3.72 111.115 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -160.93 169.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.83 -0.623 . . . . 2.54 110.516 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -153.65 140.34 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.723 0.297 . . . . 2.36 111.287 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -87.38 130.41 34.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.315 -0.402 . . . . 3.74 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -145.74 104.97 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.306 -0.406 . . . . 5.29 110.734 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 35.3 p -107.84 -172.91 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 5.01 111.403 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 57.49 56.83 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.566 . . . . 7.01 111.058 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 180' ' ' PRO . 68.4 t80 -93.86 150.99 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 5.44 110.673 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -114.11 85.44 10.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 3.92 111.243 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . 0.507 ' HA ' HD12 ' A' ' 183' ' ' LEU . 14.9 Cg_exo -68.66 -8.05 22.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.617 2.211 . . . . 5.03 112.326 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.31 -36.93 83.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 9.4 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -71.41 -14.47 74.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.636 -0.793 . . . . 3.43 112.506 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 180' ' ' PRO . 6.7 mp -94.69 19.07 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.563 0.22 . . . . 6.25 110.987 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 pp -49.59 133.5 19.32 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.299 -0.409 . . . . 5.0 111.113 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.41 162.16 19.67 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.71 2.274 . . . . 4.45 112.557 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.8 -21.43 61.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 6.38 111.032 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.5 m 52.45 78.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 5.39 111.111 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 212' ' ' LYS . 11.5 mt -150.77 -177.79 6.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 4.68 111.112 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.39 166.76 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 3.78 110.796 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 258' ' ' SER . 36.9 p90 -166.75 139.99 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 3.57 110.67 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 257' ' ' ALA . 43.6 p90 -76.81 152.15 35.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 4.84 110.761 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.432 HG21 ' HA ' ' A' ' 257' ' ' ALA . 8.1 t -135.12 170.52 15.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 2.03 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . 0.404 ' O ' ' HB3' ' A' ' 208' ' ' TRP . 82.5 t80 -169.61 130.9 1.02 Allowed Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.041 -0.527 . . . . 3.02 110.372 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.03 127.57 26.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.198 1.932 . . . . 1.7 112.292 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -93.65 10.16 72.91 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.729 -0.748 . . . . 1.85 112.507 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 79.2 p -113.72 -175.66 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.565 0.222 . . . . 2.97 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 96.7 mt 66.25 1.1 1.89 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.153 -0.476 . . . . 6.37 111.214 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 74.8 p -112.46 18.07 18.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.273 0.559 . . . . 5.44 110.025 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.34 149.68 29.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.341 -0.845 . . . . 5.31 110.96 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -39.78 152.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.776 2.317 . . . . 6.09 112.475 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.63 84.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.66 2.24 . . . . 6.63 112.675 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.434 ' HG ' HD23 ' A' ' 203' ' ' LEU . 41.1 tp -173.74 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.102 -0.499 . . . . 5.85 110.911 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.434 HD23 ' HG ' ' A' ' 202' ' ' LEU . 9.3 mt -95.28 42.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 5.45 110.83 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -91.84 20.28 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 3.98 110.807 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.19 15.83 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 3.13 110.446 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.71 132.46 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.748 -0.66 . . . . 2.42 110.985 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.453 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 27.7 m -113.59 149.18 34.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.541 -0.299 . . . . 1.8 110.88 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . 0.404 ' HB3' ' O ' ' A' ' 193' ' ' TYR . 50.5 t-105 -111.26 108.76 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 3.11 110.854 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -131.78 155.44 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 2.13 110.891 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 35.3 m -128.35 145.49 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 2.73 111.292 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.497 ' HB2' HD22 ' A' ' 143' ' ' LEU . 29.1 tp -94.22 147.62 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 4.37 110.764 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' A' ' 188' ' ' LEU . 22.8 tptm -66.59 -20.1 65.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 6.2 111.16 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.484 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 40.7 tt0 -57.08 110.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 5.91 110.674 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.99 130.31 4.86 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.543 2.162 . . . . 4.22 112.85 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 44.0 mm -130.91 120.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 4.88 110.365 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 60.0 m -136.9 151.37 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 3.8 111.305 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.48 155.29 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.0 110.602 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.469 ' HB3' ' HA ' ' A' ' 152' ' ' ALA . 92.4 p -89.89 148.45 23.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 3.66 110.738 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.409 ' O ' HG12 ' A' ' 222' ' ' VAL . 49.2 m -62.58 -15.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 3.12 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.42 -31.27 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 4.51 111.201 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -87.88 -15.34 36.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 4.63 112.013 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 219' ' ' SER . 14.5 p -74.11 -27.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 2.92 110.952 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.04 -22.12 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 3.21 110.434 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -84.72 -31.72 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 4.23 110.754 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -71.8 -24.06 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 4.01 110.841 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -84.63 -1.08 55.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.992 -0.549 . . . . 5.4 111.062 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 3.8 111.103 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.414 HD11 ' HE2' ' A' ' 169' ' ' LYS . 4.2 pp -74.93 162.03 28.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 3.46 110.796 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . 0.425 ' N ' HD21 ' A' ' 229' ' ' ASN . 0.9 OUTLIER -109.07 160.95 15.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 3.16 110.979 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.533 ' HB3' ' HB3' ' A' ' 238' ' ' GLU . 64.8 t80 -53.15 -47.56 68.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.837 0.351 . . . . 6.2 110.446 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -125.09 47.89 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 4.89 110.805 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . 0.428 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . 60.75 178.88 2.29 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.095 -0.574 . . . . 4.09 113.219 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.35 157.3 19.91 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.859 0.361 . . . . 7.57 111.178 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 87.44 9.18 72.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 6.57 112.099 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 236' ' ' PRO . 10.2 mm-40 -120.44 164.49 22.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.533 -0.173 . . . . 5.7 110.533 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 235' ' ' GLU . 83.6 Cg_exo -48.37 163.16 0.27 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.338 2.025 . . . . 7.04 112.143 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.0 90.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 6.78 110.99 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 230' ' ' PHE . 21.5 mm-40 -110.28 118.78 37.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 5.03 110.709 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.05 120.02 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 5.59 111.306 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 15.6 ptm -62.25 -26.05 68.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 5.6 110.816 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 34.3 m -88.96 -171.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.559 -0.746 . . . . 3.98 111.141 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 241' ' ' VAL . 25.5 t70 78.73 33.98 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.979 -0.555 . . . . 3.67 110.598 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -112.0 39.59 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.651 -0.704 . . . . 4.18 110.364 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -106.01 150.95 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.684 . . . . 3.85 110.968 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 25.3 mmm180 -123.52 128.39 25.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.954 -0.566 . . . . 4.15 110.705 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 21.5 Cg_exo -66.23 143.11 69.64 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.563 2.175 . . . . 2.75 112.461 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -99.11 173.51 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 3.18 110.916 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -136.31 137.61 24.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.373 -0.376 . . . . 5.96 111.047 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.53 125.8 12.7 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.681 2.254 . . . . 4.47 112.245 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . 0.526 HD21 ' H ' ' A' ' 250' ' ' LEU . 0.3 OUTLIER -80.08 -41.87 24.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 4.44 111.139 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 56.38 21.22 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 7.2 109.952 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.15 -174.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.551 -0.75 . . . . 5.62 110.753 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -71.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 6.22 110.945 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -133.32 154.4 50.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 3.56 110.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 37' ' ' THR . 17.7 tt -111.93 131.65 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 2.59 111.04 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -70.25 118.73 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.38 110.739 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.53 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -150.78 140.72 21.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 1.68 111.224 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.9 t -79.3 -8.05 58.76 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.143 0.497 . . . . 2.4 109.987 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -111.71 137.84 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.452 -0.795 . . . . 3.83 110.478 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.384 -0.817 . . . . 4.92 111.2 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.444 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.851 0.358 . . . . 33.06 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 56.19 71.19 0.58 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.059 -0.519 . . . . 30.18 111.036 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -140.92 144.53 35.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 30.03 110.718 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -95.46 90.46 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 27.02 110.966 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -96.44 154.42 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 25.84 110.798 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.67 -9.07 47.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 23.39 112.44 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -84.5 -59.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 23.38 110.839 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.93 23.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.812 -0.709 . . . . 19.99 112.492 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -78.26 -46.33 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 19.51 110.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -92.75 -21.56 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 18.49 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -91.32 10.33 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 18.8 110.817 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.9 173.4 19.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 16.54 112.404 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.86 157.07 63.41 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.412 2.075 . . . . 16.15 112.28 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -163.54 -27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 15.32 110.71 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -65.72 99.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 16.15 111.09 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -61.06 -25.53 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 11.77 111.168 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 18.2 p-80 -80.46 -23.12 40.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.473 . . . . 13.21 111.524 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -77.28 -19.92 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 16.22 111.288 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.0 -54.71 2.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.74 0.305 . . . . 12.96 111.265 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.36 147.14 32.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.36 . . . . 10.55 111.05 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.96 42.94 1.29 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.641 2.227 . . . . 10.34 112.484 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.0 mm -73.47 -54.7 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 8.43 110.988 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.93 -36.94 16.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.09 -0.504 . . . . 9.55 111.186 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 17' ' ' HIS . 99.1 mttt -84.37 6.91 21.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.351 -0.386 . . . . 13.54 110.905 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.94 79.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 8.88 112.391 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -165.98 43.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.428 . . . . 8.92 110.688 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.84 -23.67 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 10.3 110.371 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HA ' HG23 ' A' ' 198' ' ' THR . 18.9 mt-30 46.41 82.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 6.98 111.349 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -127.61 143.54 47.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.438 -0.346 . . . . 3.85 111.094 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.88 156.66 52.45 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.645 2.23 . . . . 3.29 111.916 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' ASP . 27.0 t -117.75 157.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 2.72 110.549 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' VAL . 7.9 m-20 -93.97 98.56 11.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 2.44 110.508 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.4 mp -96.93 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 1.95 111.105 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.85 129.24 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.53 111.09 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.7 m -76.69 -19.94 57.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 2.28 110.538 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -67.01 -40.59 87.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.793 -0.64 . . . . 4.16 110.824 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.5 t -78.47 -10.2 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 2.26 111.132 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.09 155.88 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 1.59 111.102 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -147.12 149.99 34.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 4.1 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 257' ' ' ALA . 35.1 p90 -93.7 138.9 31.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 4.34 110.906 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.71 94.01 33.11 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 3.04 110.984 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -78.51 34.98 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.487 2.125 . . . . 2.51 112.457 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -65.86 -45.33 82.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.374 -0.376 . . . . 3.54 111.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.52 154.68 41.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 3.49 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -107.49 126.05 30.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 4.66 110.817 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.99 129.89 11.84 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.024 . . . . 2.89 112.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.73 -61.7 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 5.61 111.03 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 t -135.73 151.01 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 3.01 111.022 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 52' ' ' ASP . 10.2 p -106.92 143.38 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 2.88 110.714 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -90.84 151.76 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 2.94 111.713 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.542 ' H ' ' HA ' ' A' ' 77' ' ' ALA . 22.5 t80 63.34 43.25 6.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.635 -0.711 . . . . 5.23 110.855 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 49' ' ' VAL . 7.2 p-10 -92.23 -30.06 16.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.786 -0.643 . . . . 4.17 110.133 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -145.72 23.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 5.15 110.914 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.42 144.28 51.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.42 -0.355 . . . . 2.19 111.115 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 178' ' ' PHE . 94.7 m -143.48 138.54 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 2.31 111.308 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -90.12 144.47 25.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.026 -0.534 . . . . 2.24 110.762 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.22 -36.12 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 4.0 111.144 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -158.84 143.83 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.265 -0.425 . . . . 5.17 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.3 pt -127.15 127.56 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 2.2 110.913 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HG ' ' HB2' ' A' ' 172' ' ' SER . 5.2 mp -113.31 155.16 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 3.06 111.358 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.403 HD22 ' HB ' ' A' ' 166' ' ' ILE . 2.5 m-20 -109.85 151.18 27.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 2.16 110.582 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.27 23.37 14.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.952 0.353 . . . . 3.54 111.952 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.8 14.45 82.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.381 -0.914 . . . . 2.67 112.555 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -172.12 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 5.03 110.437 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.98 141.88 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.586 . . . . 2.49 110.685 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -125.06 153.61 42.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 3.96 111.038 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.71 152.98 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 3.14 110.431 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.6 m -95.82 135.63 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 2.51 111.237 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.05 141.52 50.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.813 0.34 . . . . 3.84 110.968 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -102.2 145.52 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 4.98 110.767 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.7 152.07 32.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 3.04 110.648 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.75 3.92 49.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 3.88 111.5 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 3.52 110.553 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -128.63 -174.55 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.836 -0.62 . . . . 4.49 110.405 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.21 -26.92 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 2.84 110.768 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 60.17 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.967 -0.561 . . . . 3.74 111.661 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HA ' ' H ' ' A' ' 51' ' ' TYR . . . -102.26 123.57 46.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 1.97 111.193 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 89' ' ' ARG . 16.6 m -142.03 127.87 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 2.27 111.183 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.5 tp -114.01 134.13 55.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.38 -0.373 . . . . 2.78 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.28 169.24 14.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 3.11 110.493 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.35 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 2.5 112.432 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.26 -150.96 18.73 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.563 -0.827 . . . . 2.96 112.067 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.19 86.01 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.238 1.959 . . . . 4.5 111.406 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.0 tp -53.23 114.6 1.53 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.115 -0.493 . . . . 3.36 111.451 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -134.4 26.6 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 5.04 109.991 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.29 104.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.723 -0.671 . . . . 2.03 111.987 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -57.23 147.63 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 2.23 111.495 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -97.76 117.21 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 3.57 110.684 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.559 ' HG2' HG11 ' A' ' 78' ' ' VAL . 73.4 mtt180 -100.37 134.52 43.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 4.36 111.049 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 8.4 mp -83.14 130.28 35.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 3.01 110.479 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.547 HG13 ' H ' ' A' ' 92' ' ' GLN . 1.6 pt -96.77 -62.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 2.89 111.875 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.547 ' H ' HG13 ' A' ' 91' ' ' ILE . 10.0 pt20 -156.91 155.02 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.856 0.36 . . . . 3.0 111.529 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 38.9 p90 -153.82 147.17 24.85 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.061 -0.518 . . . . 1.76 110.955 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.529 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.0 p-80 -114.95 165.66 12.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 1.36 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -111.42 163.7 13.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.974 0.416 . . . . 3.9 111.417 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -123.79 152.62 42.02 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.888 -0.596 . . . . 2.17 110.554 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.43 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 22.7 m-90 -140.41 103.26 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 6.63 111.221 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.36 172.69 55.12 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 3.04 112.484 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.544 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 33.0 t -75.73 -33.38 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 4.64 110.652 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.68 135.49 52.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 5.7 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.81 7.03 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 5.38 110.757 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.6 -22.24 6.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 4.71 112.171 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -157.38 169.19 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 5.24 110.933 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.02 48.3 1.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.86 -0.686 . . . . 2.08 112.319 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.613 ' H ' ' HE3' ' A' ' 113' ' ' LYS . 41.2 t -101.64 -77.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 2.22 111.341 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.48 -25.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 2.64 110.616 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.636 ' HD1' HG12 ' A' ' 109' ' ' VAL . 14.0 p80 -157.07 176.45 12.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 2.79 110.321 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.4 HG21 ' HB2' ' A' ' 113' ' ' LYS . 77.0 p -129.78 100.39 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 2.38 111.659 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.636 HG12 ' HD1' ' A' ' 107' ' ' HIS . 24.2 m -98.03 147.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.332 -0.394 . . . . 2.7 110.778 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.9 t70 54.35 33.14 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.452 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 62.65 25.22 15.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.853 -0.612 . . . . 3.86 111.135 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -134.86 155.38 50.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 4.34 110.802 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.613 ' HE3' ' H ' ' A' ' 105' ' ' SER . 45.0 tttp -122.71 148.85 44.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 3.01 110.439 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -91.96 166.72 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 2.48 110.884 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.82 -43.91 57.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.278 . . . . 2.1 111.091 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.13 177.28 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.424 . . . . 1.99 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 44.3 mt-10 -150.73 136.58 18.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.486 -0.324 . . . . 2.4 110.918 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' A' ' 147' ' ' LEU . 1.0 OUTLIER -86.74 147.99 25.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 2.52 110.616 179.21 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.529 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.6 m170 -96.14 121.87 38.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.133 -0.485 . . . . 1.93 111.321 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 5.1 mp -114.52 105.28 12.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 2.98 110.985 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 114.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 2.44 111.205 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.471 ' HE2' ' HG ' ' A' ' 143' ' ' LEU . 15.9 p80 -131.78 136.85 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 3.2 110.963 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -106.29 152.97 22.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.945 0.403 . . . . 4.68 110.794 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.442 HD22 ' HB3' ' A' ' 126' ' ' LYS . 52.8 t30 -68.71 117.12 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 2.56 111.169 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 89' ' ' ARG . 80.8 p -79.33 -14.43 58.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.859 -0.61 . . . . 2.19 111.418 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 124' ' ' ASN . 28.6 tptp -51.34 -35.86 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 4.02 111.154 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -78.08 -27.19 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 4.5 110.832 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.64 85.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 2.38 112.537 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -140.09 142.08 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.375 . . . . 3.07 110.82 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -73.45 -24.97 60.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 3.61 111.08 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.89 -21.98 78.87 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.921 -0.657 . . . . 2.51 112.185 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -83.92 -42.64 16.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 4.04 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.31 94.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 2.12 110.723 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.74 -22.4 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 2.79 111.246 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -72.47 -24.44 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 4.15 110.782 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -102.8 126.01 33.93 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.37 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.88 -29.86 88.93 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.49 2.127 . . . . 2.89 112.296 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.18 22.34 16.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 2.64 110.644 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -100.41 -16.05 28.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 1.75 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.27 133.65 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 2.23 110.801 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.67 149.25 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 1.5 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.68 118.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 1.88 111.071 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 120' ' ' LEU . 52.1 mt -85.97 144.17 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 2.67 110.547 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 210' ' ' VAL . . . -134.05 117.28 1.81 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.645 -0.788 . . . . 1.4 112.719 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 211' ' ' LEU . 10.8 mt -115.77 135.06 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 2.06 110.379 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.563 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 29.5 m-85 -69.51 152.88 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 5.19 110.95 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 118' ' ' LEU . 77.5 mt -137.76 71.96 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 3.73 110.633 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -112.36 143.11 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 4.63 110.622 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 217' ' ' VAL . 11.7 m -56.34 122.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.279 -0.419 . . . . 3.58 111.431 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.9 153.03 18.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.592 . . . . 3.15 112.051 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.6 t 60.49 94.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 4.35 110.627 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.05 3.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 4.28 111.458 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.506 ' HE2' ' HB3' ' A' ' 157' ' ' GLN . 25.5 ttpp -59.09 116.77 17.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 5.57 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -61.18 -18.03 55.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.49 2.127 . . . . 3.3 112.236 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 122.33 61.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.921 -0.657 . . . . 2.71 112.291 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.3 tp -145.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 4.34 110.682 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.506 ' HB3' ' HE2' ' A' ' 153' ' ' LYS . 10.8 pt20 -62.36 -31.74 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 4.04 111.351 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.63 -36.22 56.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 5.16 111.291 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.55 -27.76 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 3.48 111.282 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 163' ' ' LEU . 62.0 t -66.15 -24.78 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 3.6 111.189 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.85 -19.34 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 3.01 111.356 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.8 -17.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 3.02 111.718 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 160' ' ' VAL . 4.0 pp -61.57 -24.67 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 2.72 111.021 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.56 -12.57 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.495 . . . . 2.42 110.9 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.0 m -65.89 -26.15 67.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 2.22 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.403 ' HB ' HD22 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -125.66 48.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 3.02 110.547 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -52.03 -47.21 65.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.73 -0.668 . . . . 4.14 111.322 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.0 p -117.69 149.41 40.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 2.82 111.279 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -79.17 146.21 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.507 . . . . 3.97 110.654 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 105.99 -17.03 42.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.871 -0.681 . . . . 2.38 112.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -109.59 149.69 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 3.72 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' SER . . . . . 0.42 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 86.6 p -103.58 165.04 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 2.54 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -152.9 140.24 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 2.36 111.099 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.0 129.46 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 3.74 110.762 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -139.93 109.25 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 5.29 111.044 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.9 t -136.46 179.6 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.04 -0.527 . . . . 5.01 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.73 57.17 1.81 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.962 0.41 . . . . 7.01 111.255 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . 0.422 ' HB3' HG22 ' A' ' 55' ' ' THR . 70.8 t80 -90.92 145.24 24.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 5.44 110.571 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.04 81.28 4.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 3.92 111.092 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.57 -10.1 15.92 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.53 2.153 . . . . 5.03 112.36 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.95 -20.07 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 9.4 110.818 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -90.6 -31.36 10.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 3.43 112.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.67 18.53 11.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.539 0.209 . . . . 6.25 111.294 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.25 139.51 91.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.662 -0.244 . . . . 5.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.32 131.8 6.77 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.521 2.147 . . . . 4.45 112.324 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.92 -7.4 59.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 6.38 110.906 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' SER . . . . . 0.419 ' HG ' ' HD3' ' A' ' 212' ' ' LYS . 20.0 m 59.94 32.02 20.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 5.39 110.932 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.21 -30.46 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 4.68 111.125 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 259' ' ' PHE . 3.3 p30 -150.82 149.46 29.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.444 -0.344 . . . . 3.78 110.964 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -140.5 140.35 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 3.57 110.728 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.537 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 28.2 m95 -133.18 142.16 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 4.84 110.455 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 8.8 t -153.16 139.9 18.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.859 0.361 . . . . 2.03 111.453 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -158.38 73.11 3.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 3.02 110.704 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.572 ' HA ' HG23 ' A' ' 207' ' ' THR . 10.9 Cg_endo -54.06 147.93 41.6 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.869 2.379 . . . . 1.7 112.836 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 174.3 -119.4 0.73 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.87 -0.681 . . . . 1.85 112.298 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 206' ' ' VAL . 85.3 p -155.66 -172.63 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.651 0.262 . . . . 2.97 110.699 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 206' ' ' VAL . 86.5 mt -67.3 -175.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.521 -0.309 . . . . 6.37 110.872 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' THR . . . . . 0.49 HG21 HG22 ' A' ' 199' ' ' THR . 5.8 t -54.05 -27.26 31.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.974 0.416 . . . . 5.44 110.766 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.49 HG22 HG21 ' A' ' 198' ' ' THR . 2.4 t -142.62 118.47 6.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 5.31 110.768 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.7 123.64 13.06 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.077 1.851 . . . . 6.09 111.979 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.44 -41.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.451 2.101 . . . . 6.63 111.829 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 28.5 tp -171.09 -53.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.64 . . . . 5.85 110.435 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.09 158.7 22.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.891 -0.595 . . . . 5.45 111.098 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.84 41.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 3.98 109.898 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -68.82 -2.06 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.738 -0.664 . . . . 3.13 111.089 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . 0.575 HG21 ' HG ' ' A' ' 197' ' ' LEU . 2.7 m -112.43 111.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 2.42 111.06 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.8 m -112.97 130.05 56.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 1.8 110.813 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -109.69 111.89 23.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 3.11 110.741 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.447 HD11 ' N ' ' A' ' 209' ' ' ILE . 0.1 OUTLIER -130.85 134.96 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 2.13 110.88 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 35.9 t -76.09 106.89 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 2.73 111.29 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.468 ' HB3' HG12 ' A' ' 145' ' ' ILE . 29.0 tp -62.76 161.63 12.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 4.37 110.625 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.419 ' HD3' ' HG ' ' A' ' 187' ' ' SER . 94.9 mttt -77.5 -6.82 54.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 6.2 111.818 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.07 154.62 28.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.625 0.25 . . . . 5.91 111.147 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 164.22 33.58 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.708 2.272 . . . . 4.22 112.579 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 146' ' ' PHE . 47.8 pt -84.54 171.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.545 . . . . 4.88 111.246 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 36.9 t -58.3 173.04 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 3.8 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 149' ' ' VAL . 33.4 m -99.48 173.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 3.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 69.5 m -62.43 161.5 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 3.66 111.233 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.2 p -63.42 -13.32 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 3.12 110.79 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.83 -43.18 90.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 4.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.31 -19.8 42.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 4.63 110.422 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.92 -17.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 2.92 110.398 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.55 -20.08 59.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 3.21 110.371 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 3.0 mptp? -85.43 -27.75 25.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 4.23 111.007 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.72 11.75 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 4.01 111.191 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -74.88 -26.95 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 5.4 111.233 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -69.1 -4.97 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 3.8 111.16 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.62 160.4 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 3.46 110.62 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -95.95 164.34 12.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 3.16 111.058 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 47.3 p90 -97.63 3.56 50.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 6.2 110.925 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -161.84 -51.77 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 4.89 111.045 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 177.61 -177.71 48.34 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.569 -0.824 . . . . 4.09 112.722 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.26 157.24 6.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.903 0.382 . . . . 7.57 110.983 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 85.98 -0.71 87.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.819 -0.705 . . . . 6.57 112.091 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.03 148.97 37.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.361 0.124 . . . . 5.7 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.65 162.45 6.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.428 2.085 . . . . 7.04 112.068 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.63 87.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 6.78 110.873 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -142.66 115.61 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 5.03 110.83 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.25 143.97 47.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 5.59 110.904 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.4 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 53.8 ttp -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.228 -0.442 . . . . 5.6 110.62 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.544 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 17.2 m -141.41 -178.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 3.98 111.511 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 63.56 35.83 11.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.835 -0.62 . . . . 3.67 110.895 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.43 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 18.5 m120 -100.84 55.33 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 4.18 111.154 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -110.87 137.75 48.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 3.85 110.741 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -135.44 97.5 13.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 4.15 111.351 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.88 138.31 62.48 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.602 2.201 . . . . 2.75 111.959 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . 0.443 ' HA ' ' HB ' ' A' ' 198' ' ' THR . . . -167.16 40.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.341 -0.391 . . . . 3.18 111.383 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 57.1 tp60 -90.46 117.36 67.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.476 -0.329 . . . . 5.96 111.247 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . 0.554 ' HG2' HD21 ' A' ' 252' ' ' ASN . 86.8 Cg_endo -78.45 140.9 17.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.523 2.149 . . . . 4.47 112.448 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 37.7 tp -79.94 -8.61 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 4.44 110.638 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.69 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.536 . . . . 7.2 111.489 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . 0.554 HD21 ' HG2' ' A' ' 249' ' ' PRO . 10.2 p30 -59.29 147.81 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 5.62 111.044 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -140.19 -58.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.021 -0.536 . . . . 6.22 110.683 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -105.94 117.37 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 3.56 110.478 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.474 HG23 ' H ' ' A' ' 257' ' ' ALA . 19.2 mm -64.01 145.61 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 2.59 111.033 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -93.44 19.2 8.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 3.38 111.261 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -164.44 167.69 19.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 1.68 111.326 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 50.2 m -158.23 -49.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 2.4 110.648 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 189' ' ' ASP . 97.3 m-85 -132.72 175.67 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.944 -0.571 . . . . 3.83 110.889 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.137 -0.935 . . . . 4.92 110.933 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.442 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.89 0.376 . . . . 33.06 110.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -142.2 -12.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 30.18 110.903 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -147.45 154.41 40.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 30.03 111.038 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -160.08 146.68 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 27.02 110.914 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -134.07 151.82 51.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 25.84 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.93 -66.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.921 -0.657 . . . . 23.39 112.278 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -140.43 -179.75 6.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 23.38 110.609 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.15 35.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.679 -0.772 . . . . 19.99 112.566 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -72.26 -40.98 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.893 0.377 . . . . 19.51 110.634 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -67.74 -23.06 65.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 18.49 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.46 -7.67 46.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 18.8 110.992 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.72 -168.0 39.46 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.781 -0.723 . . . . 16.54 112.623 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.06 150.69 87.92 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.626 2.217 . . . . 16.15 112.447 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -142.35 83.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 15.32 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -145.49 54.23 1.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 16.15 111.063 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -64.28 -12.29 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.518 . . . . 11.77 110.788 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' HE2' ' HZ3' ' A' ' 24' ' ' LYS . 58.5 t-80 -82.1 -32.53 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 13.21 111.017 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.89 20.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 16.22 111.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.8 -62.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 12.96 110.542 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -139.76 143.7 35.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 10.55 110.8 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.56 2.46 6.88 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.529 2.153 . . . . 10.34 112.149 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.547 HG13 ' H ' ' A' ' 204' ' ' GLU . 1.7 mp -65.92 -39.26 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 8.43 110.332 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.28 64.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 9.55 110.643 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' HZ3' ' HE2' ' A' ' 17' ' ' HIS . 29.5 mtpp -92.1 -12.93 31.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.032 -0.531 . . . . 13.54 110.711 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 113.82 6.23 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.738 -0.744 . . . . 8.88 112.185 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -132.33 25.26 4.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.92 0.391 . . . . 8.92 110.786 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -110.09 7.97 23.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 10.3 110.639 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.13 95.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 6.98 111.059 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -162.49 78.64 1.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 3.85 110.831 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.32 128.91 30.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.471 2.114 . . . . 3.29 111.977 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.593 HG23 ' H ' ' A' ' 32' ' ' ASP . 3.1 p -123.99 176.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 2.72 110.938 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.593 ' H ' HG23 ' A' ' 31' ' ' VAL . 14.7 m-20 -82.27 98.73 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 2.44 110.136 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 mp -60.18 118.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 1.95 111.287 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.3 129.34 55.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.53 110.829 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 m -79.82 -23.46 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.809 -0.632 . . . . 2.28 111.143 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -79.27 -36.58 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 4.16 111.163 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 t -76.61 -22.03 54.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 2.26 110.999 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HA ' HE22 ' A' ' 254' ' ' GLN . . . -55.26 149.08 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 1.59 111.016 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.22 143.7 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 4.1 110.84 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' N ' ' HA ' ' A' ' 260' ' ' LYS . 40.4 p90 -69.59 131.99 45.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 4.34 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -129.98 90.81 41.44 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 3.04 111.082 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -84.33 44.09 1.46 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.534 2.156 . . . . 2.51 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -85.77 -43.05 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 3.54 111.045 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 mt -136.92 114.92 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 3.49 110.985 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -100.22 140.42 21.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 4.66 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.85 125.86 17.02 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.486 2.124 . . . . 2.89 112.048 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 52.4 tp -80.61 -61.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.61 111.291 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -134.52 148.53 50.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 3.01 111.295 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -146.06 113.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.012 -0.54 . . . . 2.88 110.795 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 t -107.14 111.11 23.39 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.479 -0.328 . . . . 2.94 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 81.7 m-85 60.66 113.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.025 0.44 . . . . 5.23 111.296 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.68 -9.91 59.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 4.17 110.806 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -147.35 126.29 12.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 5.15 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.33 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 2.19 111.018 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.418 ' HG1' ' HD2' ' A' ' 76' ' ' LYS . 28.5 m -90.37 141.89 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 2.31 111.088 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 99.4 p -99.69 159.63 14.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 2.24 111.038 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -124.79 -39.24 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 4.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -165.64 146.59 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 5.17 110.884 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 59' ' ' ILE . 3.6 mp -109.88 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 2.2 110.78 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 tp -112.01 150.57 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 3.06 110.962 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.88 162.91 15.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 2.16 111.026 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.432 HD22 ' HB3' ' A' ' 65' ' ' ALA . 32.2 p30 -106.63 12.18 29.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 3.54 111.294 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.24 26.93 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.601 -0.809 . . . . 2.67 112.571 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' N ' ' HG2' ' A' ' 169' ' ' LYS . 78.2 t60 -176.72 -54.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 5.03 110.582 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' HB3' HD22 ' A' ' 62' ' ' ASN . . . -89.97 162.25 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 2.49 110.711 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -140.56 133.87 29.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 3.96 111.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -133.36 153.27 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 3.14 110.267 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 93' ' ' PHE . 1.9 t -97.0 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 2.51 111.334 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -70.48 141.5 52.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 3.84 111.123 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.34 152.51 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 4.98 110.674 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.46 146.6 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 3.04 111.007 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.79 26.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 3.88 111.098 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 t -88.49 -44.89 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 3.52 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -168.93 -174.72 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 4.49 111.119 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.14 -18.53 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 2.84 110.717 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HD2' ' HG1' ' A' ' 55' ' ' THR . 73.7 mmtt 64.56 -81.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.692 -0.686 . . . . 3.74 111.717 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.577 ' HA ' ' HB2' ' A' ' 51' ' ' TYR . . . -111.9 120.31 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 1.97 111.844 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.99 136.33 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 2.27 110.507 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 90' ' ' LEU . 7.2 mp -118.14 131.23 56.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.102 0.477 . . . . 2.78 111.656 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HA ' HD21 ' A' ' 84' ' ' LEU . 53.4 pttt -159.69 128.93 5.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.802 -0.636 . . . . 3.11 110.542 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . -170.71 -154.84 9.88 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.224 -0.989 . . . . 2.5 113.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.49 -63.08 2.29 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.994 -0.622 . . . . 2.96 113.015 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.92 -11.62 10.22 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.546 2.164 . . . . 4.5 112.402 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 80' ' ' LYS . 14.3 tp -91.8 150.3 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 3.36 110.52 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' HB2' ' HH ' ' A' ' 88' ' ' TYR . 16.7 m-20 -83.64 12.64 5.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 5.04 111.665 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.75 -141.01 8.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.498 -0.858 . . . . 2.03 112.835 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -119.82 116.1 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.803 0.335 . . . . 2.23 110.962 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.458 ' HH ' ' HB2' ' A' ' 85' ' ' ASP . 71.0 m-85 -112.45 128.69 56.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.295 -0.411 . . . . 3.57 110.887 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -103.53 124.84 49.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 4.36 111.268 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 90' ' ' LEU . 4.7 mp -84.36 143.06 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 3.01 110.061 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.72 -45.04 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.565 0.58 . . . . 2.89 112.565 -179.011 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' N ' HG12 ' A' ' 91' ' ' ILE . 13.9 pt20 -151.23 161.91 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 3.0 111.691 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.621 ' HB3' HD11 ' A' ' 120' ' ' LEU . 10.2 p90 -142.79 174.99 10.16 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.993 -0.548 . . . . 1.76 110.502 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -145.83 169.41 18.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 1.36 111.004 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -109.97 148.95 30.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.313 -0.403 . . . . 3.9 110.913 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -110.87 123.96 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.058 -0.519 . . . . 2.17 110.68 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.478 ' H ' HD21 ' A' ' 243' ' ' ASN . 16.6 m0 -122.04 120.4 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 6.63 110.765 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.0 -176.24 17.42 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.704 -0.76 . . . . 3.04 112.465 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -82.75 -25.79 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 4.64 110.963 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.18 146.19 24.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 5.7 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.45 16.67 5.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.182 -0.463 . . . . 5.38 111.014 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.57 -40.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 4.71 112.355 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -163.33 162.02 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 5.24 111.029 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' HA2' ' HD3' ' A' ' 113' ' ' LYS . . . 136.57 75.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.817 -0.706 . . . . 2.08 112.575 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.7 p -87.68 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 2.22 110.656 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 179.55 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.906 -0.588 . . . . 2.64 110.213 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -105.1 166.76 10.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.025 -0.534 . . . . 2.79 109.973 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 113' ' ' LYS . 63.8 p -112.12 119.17 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 2.38 111.598 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.55 135.24 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 2.7 110.372 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.9 t70 53.61 40.48 31.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.072 0.463 . . . . 2.18 110.11 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 58.7 25.2 13.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.824 -0.626 . . . . 3.86 111.306 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -129.54 150.0 51.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 4.34 111.082 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HB2' HG22 ' A' ' 108' ' ' THR . 22.5 ttmm -127.3 150.87 49.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 3.01 110.788 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -113.96 175.44 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.685 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.64 -47.43 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 2.1 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.08 162.47 35.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.574 . . . . 1.99 110.719 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.57 152.54 31.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 2.4 111.129 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.3 mt -86.42 148.12 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 2.52 110.747 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -132.13 95.52 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 1.93 110.738 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 93' ' ' PHE . 4.2 mm? -79.34 122.13 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 2.98 110.781 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.82 114.44 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 2.44 111.086 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . 19.1 p80 -131.85 -178.28 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.036 -0.529 . . . . 3.2 110.573 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -174.23 152.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 4.68 110.925 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.2 124.79 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.619 . . . . 2.56 110.923 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -71.49 -14.52 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.641 . . . . 2.19 110.903 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -58.47 -25.69 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 4.02 110.879 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.654 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 96.3 m-85 -84.05 -27.91 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 4.5 110.805 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.85 -30.66 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.858 -0.687 . . . . 2.38 112.553 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -153.66 151.56 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 3.07 110.837 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -63.67 -19.66 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 3.61 111.199 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.79 -42.63 99.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 2.51 112.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.34 -17.36 30.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 4.04 110.511 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.32 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 2.12 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.85 -6.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 2.79 111.438 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -72.3 -12.25 61.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 4.15 110.708 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.01 139.91 36.5 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.135 -0.484 . . . . 3.37 110.98 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.69 -51.77 10.37 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.27 1.98 . . . . 2.89 112.118 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -90.33 15.47 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 2.64 110.648 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.654 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -60.56 -47.12 92.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.053 -0.594 . . . . 1.75 112.811 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.39 133.52 50.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 2.23 111.169 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.56 157.03 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.5 110.815 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.75 130.89 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 1.88 111.455 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 211' ' ' LEU . 54.5 tp -85.77 131.24 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 2.67 110.433 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 129.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.622 -0.799 . . . . 1.4 113.013 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 64.0 mt -122.81 132.87 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.689 0.28 . . . . 2.06 110.421 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.69 116.68 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 5.19 111.218 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 118' ' ' LEU . 84.5 mt -84.77 143.15 29.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 3.73 110.685 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.401 ' H ' ' HA ' ' A' ' 216' ' ' SER . 61.2 tttp -112.49 134.6 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 4.63 110.719 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 133.17 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.403 . . . . 3.58 111.211 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 145.6 53.68 0.02 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.484 -0.865 . . . . 3.15 113.049 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 t 57.21 94.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.887 0.375 . . . . 4.35 111.39 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -82.87 -73.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 4.28 111.235 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -111.49 154.41 43.82 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.269 -0.423 . . . . 5.57 111.097 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.71 -0.1 8.61 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.531 2.154 . . . . 3.3 111.887 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -119.5 23.65 8.37 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.299 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 221' ' ' GLN . 2.5 pt? -56.52 -15.03 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.708 0.289 . . . . 4.34 111.405 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -54.37 -40.57 68.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 4.04 111.433 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -58.74 -31.16 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 5.16 110.927 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 80.1 t -79.71 -29.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 3.48 111.223 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.53 -29.94 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 3.6 111.057 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -74.39 -33.4 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 3.01 110.728 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.4 HG23 ' HB ' ' A' ' 176' ' ' THR . 38.8 t -61.86 -28.37 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 3.02 110.846 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 164' ' ' ASP . 0.3 OUTLIER -75.93 -41.97 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 2.72 111.21 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.441 ' N ' HD22 ' A' ' 163' ' ' LEU . 30.3 t70 -54.04 -17.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 2.42 110.68 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 51.5 m -85.84 -43.34 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 2.22 110.687 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.599 HG21 ' HB1' ' A' ' 173' ' ' ALA . 8.6 pt -96.36 43.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 3.02 111.537 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.75 -43.62 94.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 4.14 110.682 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 39.3 p -129.85 158.61 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 2.82 111.117 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -63.65 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 3.97 110.998 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.36 -20.98 20.39 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.828 -0.701 . . . . 2.38 112.819 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -109.19 141.54 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 3.72 110.995 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 89.1 p -101.3 149.89 23.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 2.54 111.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.599 ' HB1' HG21 ' A' ' 166' ' ' ILE . . . -105.51 176.75 5.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 2.36 110.918 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.81 157.65 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 3.74 111.045 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -52.22 137.29 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 5.29 111.082 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.4 ' HB ' HG23 ' A' ' 162' ' ' VAL . 15.4 t -141.65 -172.95 3.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 5.01 110.727 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 54.98 52.74 11.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.446 -0.343 . . . . 7.01 111.008 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -109.0 109.46 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 5.44 110.76 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.27 85.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 3.92 111.061 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.32 -8.74 15.36 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.452 2.101 . . . . 5.03 112.162 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -74.52 -26.23 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 9.4 110.72 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -81.88 3.68 78.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 3.43 112.837 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.51 11.06 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 6.25 110.943 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' ' 185' ' ' PRO . 33.0 tp -82.79 123.65 77.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 5.0 110.744 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.542 ' HD2' HD13 ' A' ' 184' ' ' LEU . 57.8 Cg_endo -71.23 131.14 18.63 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.233 1.956 . . . . 4.45 112.169 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.55 -7.37 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 6.38 111.14 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 56.0 m 59.18 21.98 10.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.072 -0.513 . . . . 5.39 111.16 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 22.3 tp -83.51 155.04 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 4.68 110.697 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.432 ' HB3' ' HG ' ' A' ' 258' ' ' SER . 11.2 m-20 -92.25 150.35 20.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.776 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.431 ' N ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.68 145.1 3.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 3.57 110.907 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.459 ' HB2' ' N ' ' A' ' 258' ' ' SER . 0.1 OUTLIER -126.19 175.99 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 4.84 110.406 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.9 t -118.88 142.86 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 2.03 111.426 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -115.9 103.46 53.5 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 3.02 110.672 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 207' ' ' THR . 56.1 Cg_endo -68.48 131.17 22.49 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.407 2.071 . . . . 1.7 112.262 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.36 -148.81 5.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.647 -0.787 . . . . 1.85 112.739 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 58.4 p -156.5 147.93 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 2.97 110.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.97 165.14 25.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.943 0.401 . . . . 6.37 111.274 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 2.1 m -88.18 23.52 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 5.44 110.368 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.495 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 67.7 p -89.46 160.43 42.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 5.31 111.01 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 1.1 Cg_endo -43.29 154.68 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.874 2.383 . . . . 6.09 112.506 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -60.77 96.08 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.669 2.246 . . . . 6.63 112.423 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.465 ' HB3' HD21 ' A' ' 203' ' ' LEU . 61.1 tp -172.66 -32.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 5.85 111.08 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 202' ' ' LEU . 0.4 OUTLIER -132.76 68.14 1.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 5.45 110.975 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . 0.547 ' H ' HG13 ' A' ' 22' ' ' ILE . 49.1 mt-10 -106.31 16.79 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.079 -0.51 . . . . 3.98 110.814 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 72.0 m -106.51 41.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 3.13 109.987 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.12 129.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 2.42 111.469 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 194' ' ' PRO . 18.1 m -111.94 146.04 38.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.419 . . . . 1.8 110.637 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -107.94 126.14 52.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.949 0.404 . . . . 3.11 111.285 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 209' ' ' ILE . 4.7 mp -124.55 146.78 29.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.94 -0.573 . . . . 2.13 110.855 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.25 131.55 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 2.73 111.133 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.504 ' HG ' HD12 ' A' ' 143' ' ' LEU . 75.7 mt -79.96 170.31 16.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 4.37 110.917 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -65.25 -54.26 31.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 6.2 110.8 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.08 97.76 6.3 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 5.91 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.05 139.55 56.5 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.613 2.209 . . . . 4.22 112.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.2 pt -68.11 167.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 4.88 111.066 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' SER . . . . . 0.401 ' HA ' ' H ' ' A' ' 148' ' ' LYS . 80.4 p -127.12 165.03 20.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 3.8 111.21 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.84 173.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 3.0 110.96 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 41.8 t -106.01 148.24 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 3.66 111.134 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 84.9 p -65.41 -25.79 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 3.12 110.116 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -80.99 -29.67 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.828 -0.624 . . . . 4.51 110.304 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' A' ' 156' ' ' LEU . 26.7 tt0 -68.99 -44.47 72.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 4.63 110.483 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.5 -0.6 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 2.92 111.192 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.11 -30.3 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 3.21 110.741 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.522 ' HD3' ' HZ3' ' A' ' 227' ' ' LYS . 74.4 mmtt -86.5 -19.35 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 4.23 111.214 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -72.21 -7.01 46.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 4.01 111.346 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -90.23 -8.8 50.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.375 . . . . 5.4 111.048 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.522 ' HZ3' ' HD3' ' A' ' 224' ' ' LYS . 57.1 mttp -92.46 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 3.8 111.73 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.57 162.07 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 3.46 111.136 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.74 159.69 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 3.16 110.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.91 3.32 39.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 6.2 111.117 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 26.7 t-20 -152.16 -17.65 0.18 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.468 -0.333 . . . . 4.89 111.345 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 116.47 -178.04 17.15 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.787 -0.721 . . . . 4.09 112.912 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.55 149.74 10.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.829 0.347 . . . . 7.57 111.08 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 96.93 -15.81 62.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.914 -0.66 . . . . 6.57 111.897 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.04 144.65 31.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.739 -0.23 . . . . 5.7 110.485 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.95 121.61 10.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.405 2.07 . . . . 7.04 111.897 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.09 111.6 0.5 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.283 -0.417 . . . . 6.78 111.161 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -158.5 134.35 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 5.03 110.879 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -62.56 143.12 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 5.59 110.706 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.46 119.17 7.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 5.6 110.668 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.4 HG23 ' OD1' ' A' ' 242' ' ' ASP . 35.0 m -106.44 -172.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 3.98 111.446 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . 0.4 ' OD1' HG23 ' A' ' 241' ' ' VAL . 12.1 m-20 63.93 30.0 14.33 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.092 -0.504 . . . . 3.67 110.523 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.478 HD21 ' H ' ' A' ' 97' ' ' TRP . 63.0 m-20 -104.61 52.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.811 -0.631 . . . . 4.18 110.791 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -143.96 160.91 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 3.85 110.951 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -130.99 152.91 81.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.542 . . . . 4.15 110.829 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.37 170.8 16.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.465 2.11 . . . . 2.75 112.534 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -154.79 36.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.579 . . . . 3.18 110.603 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.53 119.42 50.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 5.96 110.844 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' A' ' 31' ' ' VAL . 72.9 Cg_endo -76.47 128.93 10.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.297 1.998 . . . . 4.47 112.391 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 33.1 tp -78.28 -44.25 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 4.44 110.481 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -148.48 -57.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.648 -0.705 . . . . 7.2 110.552 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.38 -59.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 5.62 110.582 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 62.44 117.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.96 -0.564 . . . . 6.22 111.445 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . 0.503 HE22 ' HA ' ' A' ' 38' ' ' ALA . 49.9 tp60 -104.52 145.79 29.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.579 . . . . 3.56 110.779 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 8.5 tp -97.54 139.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 2.59 110.839 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.41 99.64 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 3.38 111.162 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -126.2 148.54 49.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 1.68 110.77 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.459 ' N ' ' HB2' ' A' ' 191' ' ' TRP . 41.5 t -71.79 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 2.4 110.756 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -112.11 144.82 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.83 110.65 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . 0.471 ' HA ' ' N ' ' A' ' 40' ' ' TYR . 61.4 tttm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.228 -0.892 . . . . 4.92 110.796 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.433 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptm . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.755 0.312 . . . . 33.06 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -82.33 146.23 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 30.18 110.91 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -145.01 17.19 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 30.03 110.965 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -149.19 30.62 0.77 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 27.02 111.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -146.43 124.56 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 25.84 110.801 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.33 -18.75 9.74 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.7 -0.762 . . . . 23.39 112.488 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -73.57 -22.87 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 23.38 110.641 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.98 -16.02 2.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 19.99 112.653 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -70.08 -38.03 75.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.967 0.413 . . . . 19.51 110.791 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -88.13 -17.56 30.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 18.49 110.813 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -92.7 -13.54 29.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 18.8 110.736 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.13 154.97 17.88 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.74 -0.743 . . . . 16.54 112.38 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.0 153.76 63.11 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.632 2.221 . . . . 16.15 112.393 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.44 122.99 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 15.32 110.834 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -103.41 4.25 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 16.15 111.122 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.9 m-90 -73.32 -21.61 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 11.77 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.561 ' HD1' ' HB2' ' A' ' 23' ' ' ALA . 80.6 m-70 -62.03 -26.71 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 13.21 110.796 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -85.84 -19.6 30.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 16.22 111.069 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 12.96 110.967 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -115.8 149.84 43.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 10.55 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.88 26.71 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 10.34 112.752 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.6 tp -70.19 -29.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.976 0.417 . . . . 8.43 110.78 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB2' ' HD1' ' A' ' 17' ' ' HIS . . . -80.06 -28.37 39.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 9.55 110.552 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.19 5.15 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.774 -0.648 . . . . 13.54 110.319 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.02 -164.06 28.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 8.88 112.673 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 10.2 pt-20 -159.14 -167.56 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.654 0.264 . . . . 8.92 110.82 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 98.7 mtt180 65.17 21.98 12.18 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 10.3 110.111 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -83.73 20.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.615 -0.721 . . . . 6.98 111.068 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -160.71 153.88 18.19 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 3.85 111.18 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.85 131.36 25.45 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.697 2.265 . . . . 3.29 112.156 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 249' ' ' PRO . 22.2 t -128.54 164.78 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 2.72 110.537 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' VAL . 47.3 m-20 -87.26 98.81 11.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.779 0.323 . . . . 2.44 110.527 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.67 142.56 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 1.95 110.917 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB2' HG21 ' A' ' 37' ' ' THR . 15.4 m-20 -108.84 129.78 55.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 1.53 111.104 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.2 m -71.65 -25.29 62.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 2.28 110.818 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -68.17 -40.83 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 4.16 111.084 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.537 HG21 ' HB2' ' A' ' 34' ' ' ASP . 13.2 t -79.12 -21.15 47.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 2.26 110.996 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.43 151.35 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 1.59 110.674 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -141.58 131.18 23.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 4.1 111.451 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -107.02 125.31 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.958 -0.565 . . . . 4.34 110.59 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -122.87 131.41 24.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 3.04 110.824 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.73 41.29 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.453 2.102 . . . . 2.51 112.486 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -83.95 -41.51 17.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 3.54 110.958 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 ' HD3' ' A' ' 83' ' ' PRO . 1.4 tt -104.74 132.82 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 3.49 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.3 pttt -60.31 152.47 63.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 4.66 110.921 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 125.86 12.09 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.498 2.132 . . . . 2.89 112.037 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.24 132.71 48.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 5.61 110.685 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.6 t -92.89 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 3.01 110.949 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -146.21 143.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.311 -0.404 . . . . 2.88 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -110.18 142.8 41.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.471 . . . . 2.94 110.474 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -168.82 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 5.23 110.828 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.52 -24.92 22.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.961 -0.563 . . . . 4.17 110.366 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -102.19 1.01 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 5.15 110.883 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.36 120.54 5.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.264 -0.426 . . . . 2.19 111.212 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -143.34 132.18 22.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 2.31 111.291 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.3 p -89.88 167.75 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.118 -0.492 . . . . 2.24 110.574 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 tp -120.98 -39.29 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.372 -0.377 . . . . 4.0 111.662 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -174.69 171.45 3.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 5.17 111.465 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 68' ' ' VAL . 55.7 mt -131.76 105.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.681 . . . . 2.2 110.555 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -95.95 157.99 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 3.06 111.521 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -132.97 154.97 49.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.603 . . . . 2.16 110.728 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.93 23.48 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 3.54 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.5 10.52 75.53 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.625 -0.798 . . . . 2.67 112.543 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -149.42 -59.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 5.03 110.609 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.87 161.03 15.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 2.49 110.788 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.65 133.82 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 3.96 111.218 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -133.43 151.5 51.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 3.14 110.666 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 59' ' ' ILE . 14.6 m -117.55 139.79 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 2.51 111.079 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.19 153.14 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.92 0.391 . . . . 3.84 111.426 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -108.73 165.21 11.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 4.98 110.779 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.26 126.3 28.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 3.04 110.695 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -90.69 5.69 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 3.88 110.575 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 m -59.76 -32.06 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 3.52 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -157.18 147.96 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 4.49 110.788 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.56 86.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.607 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 29.9 mmtp -62.92 -72.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 3.74 111.064 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.39 135.18 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.97 111.096 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -135.25 151.43 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 2.27 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -116.25 127.11 54.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.872 0.368 . . . . 2.78 111.368 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -159.34 128.42 5.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 3.11 110.228 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.07 -121.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.278 -0.963 . . . . 2.5 113.366 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.74 -80.0 1.42 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.739 -0.743 . . . . 2.96 113.303 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' HD3' HD22 ' A' ' 44' ' ' LEU . 39.6 Cg_endo -65.93 -1.78 5.66 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.764 2.309 . . . . 4.5 112.818 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.71 134.16 53.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.317 . . . . 3.36 110.81 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.84 -12.88 40.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 5.04 111.228 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.63 -127.51 1.75 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.578 -0.82 . . . . 2.03 112.784 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -112.23 130.49 55.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 2.23 111.384 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.09 134.67 54.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 3.57 110.732 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -103.44 152.89 21.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 4.36 111.09 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 6.5 mp -89.45 139.69 30.27 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.153 -0.476 . . . . 3.01 110.757 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 91' ' ' ILE . 3.9 mp -114.01 -80.72 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.323 -0.399 . . . . 2.89 111.436 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -153.16 163.94 38.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.566 0.222 . . . . 3.0 110.868 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 45.3 p90 -157.42 156.21 31.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 1.76 111.626 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 5.6 p-80 -130.78 167.89 18.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.532 -0.758 . . . . 1.36 110.322 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -112.54 144.78 41.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.309 . . . . 3.9 111.112 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -94.92 173.18 7.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.287 -0.415 . . . . 2.17 110.52 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.573 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 93.2 m95 -133.05 166.31 22.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.831 0.348 . . . . 6.63 111.102 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.421 ' N ' HG21 ' A' ' 241' ' ' VAL . . . -163.14 129.93 2.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.02 -0.609 . . . . 3.04 112.511 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.8 t -76.15 -34.79 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 4.64 111.025 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . 47.8 mt -103.37 141.89 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 5.7 111.069 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.3 -0.06 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 5.38 110.687 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.5 -11.3 51.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.841 -0.695 . . . . 4.71 111.829 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.601 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 10.8 pt20 -144.94 171.63 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.603 0.24 . . . . 5.24 110.612 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.24 -44.2 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.482 -0.866 . . . . 2.08 112.874 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.7 m -96.06 -169.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 2.22 111.238 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -93.35 -79.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 2.64 111.123 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.02 163.71 27.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 2.79 110.768 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.48 HG21 ' HG3' ' A' ' 113' ' ' LYS . 29.6 p -133.09 149.43 52.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 2.38 111.527 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.84 145.72 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 2.7 110.767 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.9 t70 53.38 34.41 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.841 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 61.61 25.3 15.24 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.029 -0.532 . . . . 3.86 111.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -134.91 125.61 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.322 -0.399 . . . . 4.34 110.846 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.658 ' HB2' ' HZ1' ' A' ' 113' ' ' LYS . 4.4 ttmp? -88.89 147.18 24.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 3.01 110.83 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.433 ' HD1' ' HB3' ' A' ' 148' ' ' LYS . 95.6 m-85 -77.04 166.02 23.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 2.48 111.063 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.54 40.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.098 -0.501 . . . . 2.1 111.107 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -171.55 169.18 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 1.99 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -153.02 145.63 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 2.4 110.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.495 HD21 ' HB ' ' A' ' 145' ' ' ILE . 4.4 pp -86.88 147.55 25.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.742 0.306 . . . . 2.52 110.715 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -110.67 95.01 5.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.93 111.087 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 1.6 tt -107.46 129.73 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.997 -0.372 . . . . 2.98 109.997 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.404 ' N ' HD23 ' A' ' 120' ' ' LEU . 25.1 m -104.83 141.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 2.44 111.738 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.482 ' ND1' HD22 ' A' ' 143' ' ' LEU . 35.7 m80 -127.63 150.72 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 3.2 109.964 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -158.89 130.46 6.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 4.68 111.232 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 55.9 t30 -69.93 126.28 29.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.599 -0.728 . . . . 2.56 110.838 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 t -73.55 -15.06 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 2.19 111.818 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.447 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 17.3 tppt? -57.84 -28.04 63.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 4.02 111.045 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -78.06 -25.64 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 4.5 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.9 -36.48 2.69 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.794 -0.717 . . . . 2.38 112.743 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -139.96 143.98 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 3.07 110.891 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.74 -24.09 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 3.61 110.96 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -68.91 -26.51 74.59 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.71 -0.757 . . . . 2.51 112.469 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.3 -32.96 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 4.04 110.771 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 2.12 111.62 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.414 HG11 HD21 ' A' ' 140' ' ' LEU . 23.8 m -60.95 -17.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 2.79 111.434 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -72.13 -7.21 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 4.15 110.762 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -116.27 135.95 22.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 3.37 110.644 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.46 -26.97 83.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.474 2.116 . . . . 2.89 112.203 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.39 20.2 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 2.64 111.183 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.11 -77.95 0.17 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.676 -0.773 . . . . 1.75 112.548 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.414 HD21 HG11 ' A' ' 134' ' ' VAL . 2.4 pt? -102.33 148.25 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.704 0.288 . . . . 2.23 110.53 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.31 159.99 26.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 1.5 111.307 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 111.59 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.88 111.114 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.694 HD12 ' HB ' ' A' ' 209' ' ' ILE . 4.0 mm? -89.87 121.23 31.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 2.67 110.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.19 134.95 7.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 1.4 112.679 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.495 ' HB ' HD21 ' A' ' 118' ' ' LEU . 62.2 mt -108.32 117.48 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 2.06 110.852 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.33 96.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 5.19 111.056 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 216' ' ' SER . 74.7 mt -61.94 133.51 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 3.73 110.944 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.433 ' HB3' ' HD1' ' A' ' 114' ' ' TYR . 13.9 ptmm? -143.01 168.48 19.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.936 0.398 . . . . 4.63 111.281 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 218' ' ' SER . 92.7 t -79.08 116.41 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.947 -0.57 . . . . 3.58 110.885 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.87 -142.34 7.81 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.558 -0.829 . . . . 3.15 112.802 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m -96.53 -1.93 46.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 4.35 110.927 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.509 ' HA ' ' HB ' ' A' ' 217' ' ' VAL . . . 63.07 171.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.905 -0.588 . . . . 4.28 111.846 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 20.8 ttmm -112.61 127.47 26.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.814 -0.63 . . . . 5.57 110.921 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.75 -26.07 16.4 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.323 2.015 . . . . 3.3 112.3 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.25 65.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 2.71 112.533 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 39.3 tp -68.31 -5.68 19.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 4.34 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -53.58 -27.12 24.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.312 -0.404 . . . . 4.04 110.82 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -59.45 -39.07 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 5.16 110.365 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 96.7 t -79.89 -29.28 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 3.48 110.701 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.79 -36.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 3.6 110.816 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.31 -43.19 86.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.055 -0.521 . . . . 3.01 110.501 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.9 -31.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 3.02 110.679 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -35.51 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 2.72 111.188 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.29 -12.7 1.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 2.42 110.866 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.3 t -92.1 -34.08 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 2.22 111.278 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.13 51.26 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.22 0.534 . . . . 3.02 110.722 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.65 -47.48 39.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 4.14 110.828 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 62.2 p -104.71 147.34 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 2.82 111.18 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.61 ' HB2' ' HZ1' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.57 147.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 3.97 110.61 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.37 27.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.843 -0.694 . . . . 2.38 112.377 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.84 174.83 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 3.72 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 54.0 m -126.74 163.68 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 2.54 110.753 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -162.03 132.23 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 2.36 111.014 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.33 124.49 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 3.74 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -138.62 105.0 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 5.29 110.77 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.7 t -124.76 -178.02 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 5.01 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.67 57.11 3.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 7.01 111.113 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -80.63 148.9 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 5.44 110.711 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -106.35 93.25 7.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 3.92 110.944 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.59 -8.07 20.14 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 5.03 112.576 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 41.2 ttm180 -71.94 -16.17 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 9.4 110.777 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -92.36 0.68 71.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.65 -0.786 . . . . 3.43 112.506 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.59 18.57 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 6.25 110.986 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 181' ' ' ARG . 96.1 mt -57.18 133.31 80.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 5.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.81 128.01 11.29 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.504 2.136 . . . . 4.45 112.29 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.31 -16.1 50.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 6.38 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.0 t -129.2 154.53 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 5.39 111.111 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.55 HD21 ' HZ3' ' A' ' 212' ' ' LYS . 94.6 mt -111.87 67.35 0.65 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 4.68 110.785 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.35 154.24 40.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 3.78 110.832 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -154.67 167.35 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 3.57 110.566 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -120.54 139.2 53.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 4.84 110.568 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -120.7 147.39 45.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.377 -0.374 . . . . 2.03 111.096 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -167.03 87.67 0.79 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 3.02 110.994 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.579 ' HA ' HG22 ' A' ' 207' ' ' THR . 94.2 Cg_endo -77.84 136.17 14.82 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.439 2.093 . . . . 1.7 111.851 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.99 -140.44 2.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.234 -0.984 . . . . 1.85 113.118 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 13.6 m -135.29 -170.76 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.549 0.214 . . . . 2.97 110.656 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 202' ' ' LEU . 66.5 mt -56.39 169.29 0.45 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.836 0.351 . . . . 6.37 110.969 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.8 p -78.65 -5.26 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.512 . . . . 5.44 110.386 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.551 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 35.8 p -103.15 165.73 13.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.407 -0.815 . . . . 5.31 110.351 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 85.3 Cg_exo -41.17 158.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.478 2.119 . . . . 6.09 112.433 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -37.74 97.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.955 2.437 . . . . 6.63 112.575 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.509 ' HB3' HD12 ' A' ' 197' ' ' LEU . 0.2 OUTLIER -126.06 -55.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 5.85 111.254 -179.365 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 93.5 mt -148.34 126.49 12.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.788 0.327 . . . . 5.45 111.1 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.6 16.95 21.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.528 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 31.6 p -78.79 2.0 21.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 3.13 110.456 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 122.93 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.715 -0.675 . . . . 2.42 110.74 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 194' ' ' PRO . 22.4 m -113.01 140.52 47.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 1.8 111.155 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -106.25 108.59 20.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 3.11 110.72 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.694 ' HB ' HD12 ' A' ' 143' ' ' LEU . 3.2 mp -120.03 161.64 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 2.13 110.558 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 36.6 t -123.36 104.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 2.73 111.229 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.432 ' HB2' HG12 ' A' ' 145' ' ' ILE . 76.9 mt -54.4 138.55 39.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.999 -0.546 . . . . 4.37 111.046 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.55 ' HZ3' HD21 ' A' ' 188' ' ' LEU . 15.0 ptmm? -70.54 -6.68 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 6.2 110.74 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.36 162.3 6.31 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.07 -0.514 . . . . 5.91 111.268 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.27 173.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.801 2.334 . . . . 4.22 112.938 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . 0.629 ' H ' HD11 ' A' ' 215' ' ' ILE . 0.2 OUTLIER -118.29 172.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.879 -0.601 . . . . 4.88 111.307 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' SER . . . . . 0.502 ' HB2' ' HB3' ' A' ' 147' ' ' LEU . 42.1 t -50.96 172.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.087 0.47 . . . . 3.8 111.649 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' A' ' 152' ' ' ALA . 17.6 m -99.05 177.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 3.0 111.499 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 149' ' ' VAL . 39.0 t -62.32 164.68 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 3.66 111.216 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 222' ' ' VAL . 84.2 p -74.39 -27.25 60.55 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.923 -0.58 . . . . 3.12 110.834 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.31 -21.02 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 4.51 110.638 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 223' ' ' LEU . 56.4 tp60 -85.03 -34.34 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 4.63 110.865 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 219' ' ' SER . 33.7 m -80.75 27.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.412 . . . . 2.92 110.97 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 226' ' ' ARG . 42.3 tp -70.75 -30.63 67.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 3.21 109.91 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . 0.533 ' HD3' ' HZ1' ' A' ' 227' ' ' LYS . 34.8 mmtp -85.48 -17.83 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.592 -0.731 . . . . 4.23 110.373 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -86.12 -36.84 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.862 -0.608 . . . . 4.01 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 223' ' ' LEU . 13.0 ptp180 -65.32 -14.02 59.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 5.4 110.769 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.533 ' HZ1' ' HD3' ' A' ' 224' ' ' LYS . 60.1 mttp -70.64 -7.96 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 3.8 111.083 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.24 162.23 20.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 3.46 110.753 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -119.7 140.58 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 3.16 111.122 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.405 ' HA ' ' SD ' ' A' ' 240' ' ' MET . 38.2 t80 -55.81 -45.1 78.37 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 6.2 110.336 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -88.29 179.46 6.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.829 -0.623 . . . . 4.89 110.626 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -93.06 -173.41 40.67 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.649 -0.786 . . . . 4.09 112.333 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 157.12 24.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 7.57 110.746 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 68.31 3.23 30.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 6.57 112.328 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -108.91 152.03 42.17 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.362 0.125 . . . . 5.7 110.681 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.94 129.35 30.19 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.489 2.126 . . . . 7.04 112.235 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -48.48 132.84 16.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 6.78 111.009 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -149.77 157.57 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 5.03 110.716 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.2 122.24 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 5.59 111.145 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 230' ' ' PHE . 14.8 tpt -78.74 87.82 4.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 5.6 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.493 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.3 p -162.9 110.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 3.98 111.431 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 21.7 t70 179.91 41.0 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.157 -0.474 . . . . 3.67 110.692 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.573 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 32.4 m-80 -117.21 54.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 4.18 111.35 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -110.16 159.82 17.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 3.85 110.824 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -140.75 157.69 67.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 4.15 111.189 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.63 173.06 3.06 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.475 2.117 . . . . 2.75 112.236 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.58 38.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 3.18 110.983 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.25 142.08 97.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 5.96 110.579 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . 0.552 ' HA ' HG12 ' A' ' 31' ' ' VAL . 86.1 Cg_endo -82.92 123.38 3.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.307 2.005 . . . . 4.47 112.797 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.47 -48.47 12.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 4.44 110.418 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -171.57 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.674 -0.694 . . . . 7.2 111.018 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.04 91.61 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.356 -0.384 . . . . 5.62 110.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -95.17 -57.68 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 6.22 111.231 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -158.06 132.07 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.343 . . . . 3.56 111.271 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 6.5 tp -116.4 136.32 53.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.178 -0.465 . . . . 2.59 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -106.41 140.98 38.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.399 . . . . 3.38 110.951 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.502 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.29 167.5 19.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 1.68 111.056 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 34.8 t -97.18 18.15 15.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 2.4 110.721 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -114.83 136.78 52.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.795 -0.639 . . . . 3.83 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.268 -0.872 . . . . 4.92 110.791 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.409 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.75 0.309 . . . . 33.06 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 59.86 97.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.982 -0.554 . . . . 30.18 111.072 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -81.02 156.56 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 30.03 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -123.03 142.36 50.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.521 . . . . 27.02 110.745 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -126.42 134.02 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 25.84 110.615 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.84 -25.94 5.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.705 -0.76 . . . . 23.39 112.386 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 57.11 24.15 9.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 23.38 111.175 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.27 79.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 19.99 112.519 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -65.41 -36.07 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 19.51 110.977 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -85.31 -19.64 31.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 18.49 110.771 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -93.99 16.12 15.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 18.8 111.037 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.69 -179.42 22.2 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.69 -0.767 . . . . 16.54 112.64 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.01 88.44 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.759 2.306 . . . . 16.15 112.507 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 137.31 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 15.32 110.878 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' HD1' ' HE2' ' A' ' 17' ' ' HIS . 73.1 m-70 -90.82 102.45 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 16.15 110.816 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -63.96 -29.85 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.057 -0.52 . . . . 11.77 111.059 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.463 ' HE2' ' HD1' ' A' ' 15' ' ' HIS . 24.1 p80 -71.01 -21.04 62.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.845 0.355 . . . . 13.21 110.68 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.46 -19.84 62.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 16.22 110.487 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -99.22 -40.78 7.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.858 -0.61 . . . . 12.96 110.864 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.12 123.28 42.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 10.55 110.517 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -80.11 13.74 2.11 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.386 2.057 . . . . 10.34 112.445 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 22' ' ' ILE . 2.2 mp -81.61 -43.85 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 8.43 110.429 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.77 -38.04 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 9.55 110.734 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 63.5 tttp -79.04 -17.61 54.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 13.54 110.653 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.33 131.71 52.19 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.851 -0.69 . . . . 8.88 112.851 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -109.08 118.65 37.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.802 0.334 . . . . 8.92 110.814 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -103.66 1.15 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 10.3 110.815 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HA ' ' HG1' ' A' ' 198' ' ' THR . 97.5 mt-30 -93.8 166.36 12.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 6.98 111.244 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -142.61 78.09 16.41 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 3.85 110.712 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.73 125.43 15.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.578 2.185 . . . . 3.29 112.387 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -131.44 140.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.093 -0.503 . . . . 2.72 110.987 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.58 133.84 53.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.0 -0.545 . . . . 2.44 110.931 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 33' ' ' ILE . 4.6 mp -98.87 131.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 1.95 110.885 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 37' ' ' THR . 6.4 m-20 -102.84 129.27 49.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.06 0.457 . . . . 1.53 111.182 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 m -80.11 -15.73 56.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.626 . . . . 2.28 110.275 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -83.21 -35.6 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.518 -0.764 . . . . 4.16 111.307 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.0 t -74.43 -14.95 60.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 2.26 111.156 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.55 156.98 24.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 1.59 110.953 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.61 145.74 45.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.526 -0.306 . . . . 4.1 110.789 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -101.65 107.48 18.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.06 0.457 . . . . 4.34 111.444 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -120.73 120.64 29.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 3.04 110.472 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.78 86.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.323 2.015 . . . . 2.51 112.605 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -89.71 -45.64 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 3.54 110.354 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD21 ' HA3' ' A' ' 81' ' ' GLY . 37.4 tp -141.68 131.41 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.792 -0.64 . . . . 3.49 110.288 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -108.32 155.35 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 4.66 111.142 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.08 125.7 12.83 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.137 1.891 . . . . 2.89 111.816 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' HE2' ' A' ' 80' ' ' LYS . 47.6 tp -112.42 -56.44 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 5.61 110.818 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 m -135.49 137.71 42.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 3.01 110.999 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG11 HD13 ' A' ' 79' ' ' LEU . 4.6 m -142.92 124.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 2.88 111.308 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.486 ' HB2' HG23 ' A' ' 78' ' ' VAL . 24.5 m -113.78 145.87 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 2.94 111.061 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -179.61 40.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.959 -0.564 . . . . 5.23 110.66 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.75 -31.7 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.895 -0.593 . . . . 4.17 110.739 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.86 4.4 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 5.15 110.835 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.42 120.33 8.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 2.19 111.473 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.8 m -139.65 135.41 33.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.338 -0.392 . . . . 2.31 111.03 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -134.48 31.38 3.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.494 . . . . 2.24 111.046 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.46 -2.44 51.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 4.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -116.4 123.71 48.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 5.17 110.848 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.59 ' HB ' HD12 ' A' ' 166' ' ' ILE . 76.0 mt -131.24 103.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 2.2 111.053 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -113.21 140.09 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 3.06 110.534 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -108.74 167.55 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 2.16 111.301 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.61 17.0 23.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 3.54 111.516 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.94 14.36 59.43 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.587 -0.816 . . . . 2.67 112.681 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -170.71 -52.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 5.03 111.196 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.23 150.75 24.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 2.49 110.998 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -122.01 143.85 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 3.96 111.103 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -129.67 104.66 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 3.14 110.608 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.4 m -107.43 116.67 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.354 . . . . 2.51 111.482 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 9.9 tp10 178.86 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.22 -0.445 . . . . 3.84 110.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.432 ' HB3' ' HD3' ' A' ' 76' ' ' LYS . 27.7 m-85 -129.76 168.49 16.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.344 -0.389 . . . . 4.98 110.717 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 m-20 -64.99 148.89 50.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 3.04 110.46 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.51 14.41 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 3.88 111.151 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.8 p -78.2 -43.52 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 3.52 110.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -167.09 -171.25 1.72 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 4.49 111.156 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.31 144.55 32.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.253 -0.43 . . . . 2.84 110.997 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 14.4 mptt -115.14 -83.0 0.62 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 3.74 111.385 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.85 141.31 36.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 1.97 111.567 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 50' ' ' SER . 27.2 m -135.65 167.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 2.27 110.646 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.527 HD13 HG11 ' A' ' 49' ' ' VAL . 25.8 tp -130.35 138.31 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 2.78 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HE2' HD23 ' A' ' 47' ' ' LEU . 87.6 tttt -140.83 138.28 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.35 -0.387 . . . . 3.11 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' HA3' HD21 ' A' ' 44' ' ' LEU . . . -96.91 -177.99 34.92 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.847 -0.692 . . . . 2.5 112.522 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.51 -93.53 0.01 OUTLIER Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.874 -0.679 . . . . 2.96 112.757 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.416 ' HD2' HD11 ' A' ' 44' ' ' LEU . 37.2 Cg_endo -65.17 -5.05 10.23 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.554 2.17 . . . . 4.5 112.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.409 HD21 ' HE1' ' A' ' 88' ' ' TYR . 35.6 tp -78.49 137.58 38.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 3.36 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 54.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 5.04 110.69 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.16 116.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.888 -0.673 . . . . 2.03 112.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.9 p -83.49 118.36 23.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 2.23 111.22 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' HE1' HD21 ' A' ' 84' ' ' LEU . 35.6 m-85 -89.69 117.07 28.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 3.57 111.04 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HG2' HG12 ' A' ' 78' ' ' VAL . 99.0 mtt180 -94.22 141.1 28.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 4.36 110.548 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.2 mt -82.5 132.56 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.86 0.362 . . . . 3.01 110.871 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.49 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 2.89 111.256 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.533 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . 18.6 pt20 -159.77 170.39 21.59 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.715 -0.22 . . . . 3.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -141.61 173.04 11.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 1.76 110.839 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.2 p-80 -149.8 167.98 25.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.265 -0.425 . . . . 1.36 110.836 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -117.33 162.1 18.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.885 0.374 . . . . 3.9 111.565 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -120.7 166.31 13.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.909 -0.587 . . . . 2.17 110.478 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -171.13 100.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 6.63 110.461 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.534 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -58.73 -178.46 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.889 -0.672 . . . . 3.04 112.829 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -101.13 2.77 40.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 4.64 110.567 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 mt -92.65 145.76 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.855 -0.611 . . . . 5.7 110.899 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 30.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 5.38 110.955 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -145.09 -51.06 0.03 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.575 -0.821 . . . . 4.71 112.603 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.97 176.19 9.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.613 0.244 . . . . 5.24 110.747 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.01 51.22 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.362 -0.923 . . . . 2.08 113.08 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.62 ' H ' ' HE2' ' A' ' 113' ' ' LYS . 42.1 t -107.67 175.44 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.611 0.243 . . . . 2.22 110.7 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.46 ' HG2' ' HB2' ' A' ' 245' ' ' ARG . 41.1 mt-10 -73.3 -83.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.64 110.656 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -103.71 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 2.79 110.249 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.8 p -116.58 116.97 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 2.38 111.653 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.31 143.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 2.7 110.48 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.0 t70 54.75 30.42 13.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.36 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 63.94 25.53 13.96 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.872 -0.604 . . . . 3.86 111.375 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -129.27 146.7 51.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 4.34 111.097 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.62 ' HE2' ' H ' ' A' ' 105' ' ' SER . 75.1 tttt -117.31 150.17 39.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 3.01 110.608 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.46 164.22 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 2.48 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.1 -22.7 23.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.301 -0.409 . . . . 2.1 111.049 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.98 158.48 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.99 110.715 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 11.2 pt-20 -152.46 140.99 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 2.4 111.679 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 66.2 mt -87.01 148.14 25.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.232 -0.44 . . . . 2.52 110.51 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 2.9 m170 -126.91 100.78 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 1.93 111.234 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.45 HD12 HD23 ' A' ' 143' ' ' LEU . 5.5 tt -92.38 123.02 35.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.98 110.325 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.409 HG12 HG11 ' A' ' 142' ' ' VAL . 5.7 m -110.93 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.44 111.384 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -116.57 118.25 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 3.2 110.78 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.591 ' HB3' HD12 ' A' ' 140' ' ' LEU . 26.0 m0 -109.19 120.13 41.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 4.68 110.581 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -55.87 128.28 34.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 2.56 110.727 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -58.93 -14.4 9.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 2.19 111.154 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.87 -14.2 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.703 -0.681 . . . . 4.02 111.458 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.48 ' HD1' ' HB1' ' A' ' 133' ' ' ALA . 2.3 p90 -77.39 -29.64 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.449 -0.341 . . . . 4.5 111.502 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 2.38 112.347 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.16 172.04 13.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.642 0.258 . . . . 3.07 110.923 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -57.09 -43.61 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 3.61 111.236 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.56 -42.4 57.88 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.859 -0.686 . . . . 2.51 112.718 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 96.7 mttt -83.25 -17.47 42.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 4.04 110.703 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.48 ' HB1' ' HD1' ' A' ' 127' ' ' TYR . . . -65.38 -50.9 63.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 2.12 110.609 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -64.0 -22.7 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 2.79 110.841 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -81.79 -24.07 36.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 4.15 110.851 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -117.34 83.37 16.17 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.155 -0.475 . . . . 3.37 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.65 -35.84 98.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.463 2.109 . . . . 2.89 112.5 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.87 25.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 2.64 111.483 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.13 -21.58 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.615 -0.802 . . . . 1.75 112.427 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 123' ' ' TRP . 1.3 mm? -113.2 117.16 31.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.7 0.286 . . . . 2.23 110.645 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -109.07 156.45 19.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 1.5 111.15 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 209' ' ' ILE . 40.5 t -129.92 113.87 28.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 1.88 111.4 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 65.1 tp -85.66 144.34 27.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 2.67 110.878 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.76 118.18 2.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 1.4 112.688 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 60.6 mt -102.91 143.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 2.06 110.725 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -121.26 122.1 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.528 -0.305 . . . . 5.19 110.991 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.437 HD12 ' HG ' ' A' ' 118' ' ' LEU . 14.7 mt -105.29 160.83 14.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 3.73 110.885 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -148.1 142.3 26.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 4.63 110.997 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.02 122.38 16.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.317 -0.401 . . . . 3.58 110.94 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.75 -86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 3.15 112.57 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.9 m -154.52 105.97 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 4.35 110.753 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.11 169.99 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 4.28 111.038 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.508 ' HB3' ' HZ2' ' A' ' 153' ' ' LYS . 0.1 OUTLIER -101.59 149.22 36.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 5.57 110.897 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.489 ' HD2' HH12 ' A' ' 181' ' ' ARG . 50.3 Cg_endo -69.87 -2.68 10.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.534 2.156 . . . . 3.3 112.047 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.97 -56.47 6.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.881 -0.676 . . . . 2.71 112.391 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.9 mp -96.01 0.45 51.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 4.34 110.923 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 4.04 110.616 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -84.91 -24.56 28.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 5.16 111.042 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.411 ' O ' HG21 ' A' ' 162' ' ' VAL . 59.2 t -67.54 -39.82 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 3.48 111.881 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.85 -15.51 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 3.6 111.415 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.95 -47.54 24.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.301 -0.408 . . . . 3.01 110.785 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 159' ' ' VAL . 15.0 m -71.03 -17.34 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 3.02 110.688 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 2.72 110.93 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.83 -17.87 4.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 2.42 110.496 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.6 t -82.05 -43.78 17.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.906 -0.588 . . . . 2.22 110.216 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.59 HD12 ' HB ' ' A' ' 59' ' ' ILE . 3.6 pt -92.08 30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.964 -0.562 . . . . 3.02 110.763 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.25 -46.43 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.839 -0.619 . . . . 4.14 111.06 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 63.8 p -83.11 169.49 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 2.82 110.815 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -80.53 144.19 32.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 3.97 111.0 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.76 68.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 2.38 112.47 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -109.62 120.95 44.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 3.72 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 39.4 t -106.36 168.93 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 2.54 110.464 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.94 141.69 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 2.36 111.178 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -85.56 156.11 20.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 3.74 110.605 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -97.25 128.46 44.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 5.29 110.909 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 32.5 m -151.87 151.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 5.01 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.7 m120 60.16 55.84 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 7.01 110.571 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -52.07 149.4 5.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.841 -0.618 . . . . 5.44 111.141 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.6 108.82 27.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.55 . . . . 3.92 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.83 -16.36 49.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.226 1.951 . . . . 5.03 112.202 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . 0.489 HH12 ' HD2' ' A' ' 154' ' ' PRO . 17.4 ptp180 -76.17 -24.76 54.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 9.4 110.73 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -80.31 14.57 21.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.86 -0.686 . . . . 3.43 112.614 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.52 17.21 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 6.25 110.791 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.54 146.47 85.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.1 -0.5 . . . . 5.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.94 128.04 9.74 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.471 2.114 . . . . 4.45 112.559 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . 0.551 ' HG3' ' HH ' ' A' ' 190' ' ' TYR . 9.7 tp10 -81.2 -7.28 59.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 6.38 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.9 t -86.81 100.49 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 5.39 111.074 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.431 ' HG ' ' OD1' ' A' ' 189' ' ' ASP . 62.9 tp -168.1 -73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 4.68 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.431 ' OD1' ' HG ' ' A' ' 188' ' ' LEU . 35.3 m-20 -145.23 164.38 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.78 110.794 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.551 ' HH ' ' HG3' ' A' ' 186' ' ' GLU . 71.2 m-85 -144.83 167.83 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 3.57 110.975 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.472 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 15.6 t-105 -147.63 116.92 6.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 4.84 110.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 6.2 t -146.81 169.06 19.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 2.03 111.754 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . 0.433 ' HB2' HG13 ' A' ' 255' ' ' ILE . 22.1 t80 -158.06 117.25 1.86 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 115.78 -0.645 . . . . 3.02 110.346 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.55 ' HA ' HG21 ' A' ' 207' ' ' THR . 74.0 Cg_exo -48.7 127.58 16.74 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.218 1.945 . . . . 1.7 112.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -105.07 119.09 6.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.85 112.773 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.417 ' HB2' ' H ' ' A' ' 203' ' ' LEU . 97.5 p -113.84 -179.62 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.594 0.235 . . . . 2.97 110.432 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.82 -178.15 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.578 -0.283 . . . . 6.37 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' THR . . . . . 0.406 ' HG1' ' HA ' ' A' ' 28' ' ' GLN . 7.6 t -69.27 -17.89 63.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 5.44 110.205 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.588 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 32.0 p -89.74 168.36 15.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.332 -0.849 . . . . 5.31 110.151 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 74.3 Cg_exo -40.43 161.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.539 2.159 . . . . 6.09 112.522 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -32.3 98.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.324 2.683 . . . . 6.63 113.256 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.6 -50.98 2.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 5.85 110.368 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 203' ' ' LEU . 3.1 mm? 61.17 88.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 5.45 110.62 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -68.16 -74.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 3.98 110.727 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.4 p -174.69 35.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 3.13 110.505 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.3 121.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 2.42 111.175 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 194' ' ' PRO . 27.0 m -109.13 146.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 1.8 110.453 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -92.03 107.89 19.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 3.11 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.2 mm -103.66 155.81 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 2.13 110.513 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 62.2 t -144.62 135.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 2.73 111.076 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.58 151.46 37.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 4.37 110.478 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 64.7 pttt -52.96 -46.26 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 6.2 111.25 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 212' ' ' LYS . 42.5 mm-40 -131.99 99.04 16.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 5.91 111.126 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.42 131.08 40.7 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.284 1.989 . . . . 4.22 112.044 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 33.7 pt -77.28 164.53 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 4.88 111.405 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 24.2 m -125.79 144.41 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 3.8 110.743 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 147' ' ' LEU . 33.6 m -131.49 164.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 3.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 48.2 t -109.72 160.03 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.455 -0.339 . . . . 3.66 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.499 ' HB2' HH22 ' A' ' 226' ' ' ARG . 89.2 p -55.21 -23.43 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 3.12 110.974 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.97 -32.59 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 4.51 110.456 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.59 -35.04 76.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 4.63 110.449 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.6 m -94.98 -1.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 2.92 110.898 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.553 HD12 ' HD2' ' A' ' 226' ' ' ARG . 49.4 tp -64.25 -29.54 70.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 3.21 110.535 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.863 -0.608 . . . . 4.23 110.787 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -87.68 -24.97 23.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 4.01 111.058 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.553 ' HD2' HD12 ' A' ' 223' ' ' LEU . 98.9 mtt180 -64.21 -20.39 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 5.4 111.045 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.46 -20.51 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 3.8 110.891 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.73 162.19 19.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 3.46 111.216 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.75 148.65 32.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.56 . . . . 3.16 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.453 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 51.7 p90 -72.16 -8.64 55.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.019 -0.537 . . . . 6.2 111.258 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . 0.415 ' HB3' ' HG3' ' A' ' 235' ' ' GLU . 2.9 t-20 -144.27 -59.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 4.89 111.114 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 178.18 -160.66 27.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.707 -0.758 . . . . 4.09 112.544 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.91 157.27 35.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 7.57 110.954 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 75.54 3.14 71.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.771 -0.728 . . . . 6.57 112.204 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . 0.415 ' HG3' ' HB3' ' A' ' 231' ' ' ASN . 8.3 mm-40 -106.92 150.35 39.67 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.411 0.148 . . . . 5.7 110.806 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.01 138.46 78.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.157 . . . . 7.04 112.307 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.17 95.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 6.78 110.947 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.56 140.71 22.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 5.03 110.961 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -69.27 141.59 54.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 5.59 110.81 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.517 ' HE1' HD22 ' A' ' 243' ' ' ASN . 45.6 ttp -64.99 125.39 24.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 5.6 110.767 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.14 179.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 3.98 111.396 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 12.3 t70 65.96 42.37 3.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.13 -0.486 . . . . 3.67 110.302 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.534 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 2.7 m-20 -96.27 51.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.737 -0.665 . . . . 4.18 111.426 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -97.91 148.35 23.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 3.85 110.792 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.46 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 35.4 mmt180 -140.74 151.78 64.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 4.15 110.934 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -78.03 151.34 27.2 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.543 2.162 . . . . 2.75 112.182 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.56 -173.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 3.18 111.046 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.8 143.73 50.18 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 5.96 110.846 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.11 126.02 8.31 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.579 2.186 . . . . 4.47 112.748 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 32.8 tp -72.71 -27.84 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 4.44 110.274 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.04 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 7.2 111.788 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -145.63 -54.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 5.62 111.142 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -50.65 144.33 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 6.22 111.068 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -102.32 171.53 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 3.56 110.925 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.433 HG13 ' HB2' ' A' ' 193' ' ' TYR . 1.8 mp -68.09 116.36 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 2.59 111.068 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -88.23 78.92 7.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 3.38 110.489 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.78 162.51 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.68 111.007 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 97.0 p -106.93 1.38 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 2.4 110.651 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -112.26 143.57 43.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.542 . . . . 3.83 110.895 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 65.0 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.192 -0.909 . . . . 4.92 110.984 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 0.403 ' O3 ' ' N2 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.801 0.334 . . . . 33.06 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -115.94 -176.02 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 30.18 110.779 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 57.67 89.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.98 0.419 . . . . 30.03 110.829 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -107.98 -6.3 16.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 27.02 111.121 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -95.77 132.63 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 25.84 111.151 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.43 163.87 12.13 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.951 -0.642 . . . . 23.39 112.197 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -95.28 -35.33 11.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.698 0.285 . . . . 23.38 111.22 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.93 144.4 15.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.693 -0.765 . . . . 19.99 112.542 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.39 -41.71 80.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.808 0.337 . . . . 19.51 110.728 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -82.68 -31.6 28.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 18.49 110.701 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -80.33 -13.5 59.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 18.8 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.2 170.65 23.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 16.54 112.458 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.69 174.94 9.57 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.611 2.207 . . . . 16.15 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.66 131.45 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 15.32 110.748 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -123.71 113.91 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 16.15 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -67.37 -12.38 60.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 11.77 110.819 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -78.3 -29.76 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 13.21 110.694 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -71.48 -19.55 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 16.22 110.922 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.84 -32.43 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 12.96 110.719 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -106.0 141.37 22.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.55 110.804 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -77.95 12.99 1.82 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.434 2.089 . . . . 10.34 112.695 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.0 tp -74.32 -39.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.869 0.366 . . . . 8.43 110.459 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.22 -22.58 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 9.55 110.666 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -88.6 -16.35 32.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 13.54 110.77 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.65 129.39 9.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 8.88 112.74 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.35 -14.19 25.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 8.92 110.551 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -86.29 0.16 54.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 10.3 109.924 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 196' ' ' SER . 10.2 mm100 -84.49 49.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.42 -0.809 . . . . 6.98 110.715 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -158.79 146.48 13.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 3.85 110.77 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.62 125.16 18.14 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.513 2.142 . . . . 3.29 112.186 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.532 HG23 ' H ' ' A' ' 32' ' ' ASP . 3.4 p -133.14 176.58 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 2.72 110.823 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.532 ' H ' HG23 ' A' ' 31' ' ' VAL . 6.5 p-10 -84.25 112.91 20.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 2.44 110.768 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 33' ' ' ILE . 4.7 mp -91.71 106.44 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 1.95 110.961 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' HG23 ' A' ' 37' ' ' THR . 3.6 m-20 -113.13 129.49 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 1.53 111.193 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 m -60.9 -19.97 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 2.28 110.726 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -82.53 -41.11 20.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 4.16 111.583 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -74.81 -19.66 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 2.26 111.092 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.52 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 1.59 110.772 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -128.19 144.65 51.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.372 . . . . 4.1 111.13 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -81.25 98.12 7.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 4.34 110.724 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -117.15 92.27 39.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 3.04 111.417 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.88 86.08 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.426 2.084 . . . . 2.51 112.179 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.3 p -89.76 -42.48 11.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 3.54 111.099 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.3 mt -145.66 87.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.49 111.179 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.59 149.05 95.42 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.839 -0.619 . . . . 4.66 110.879 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.04 126.94 15.95 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.485 2.123 . . . . 2.89 112.449 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.0 -49.38 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 5.61 111.124 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -132.81 135.81 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 3.01 111.356 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG13 ' HG ' ' A' ' 79' ' ' LEU . 61.6 t -145.16 130.18 13.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.863 -0.608 . . . . 2.88 110.412 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.3 t -107.16 135.01 49.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 2.94 111.319 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -169.7 40.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 5.23 110.797 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -91.58 -43.43 9.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.11 -0.495 . . . . 4.17 110.463 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -85.11 -9.03 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 5.15 110.331 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.6 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.1 120.19 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.968 -0.56 . . . . 2.19 110.991 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -160.1 144.87 14.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 2.31 111.603 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.7 p -103.14 162.05 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 2.24 110.123 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.6 mt -120.7 -39.04 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.68 -0.236 . . . . 4.0 111.516 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -171.09 158.7 5.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 5.17 111.183 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.413 HD11 ' N ' ' A' ' 59' ' ' ILE . 4.9 mp -132.42 116.01 27.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 2.2 110.793 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -101.83 152.38 20.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.572 -0.286 . . . . 3.06 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.413 ' ND2' HG21 ' A' ' 166' ' ' ILE . 2.1 m-20 -103.69 153.4 20.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.258 -0.428 . . . . 2.16 111.259 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -106.54 18.65 21.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.918 -0.583 . . . . 3.54 111.005 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 97.71 10.88 52.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 2.67 112.474 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.583 ' HA ' ' HG2' ' A' ' 169' ' ' LYS . 23.7 p80 -176.89 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.711 0.291 . . . . 5.03 110.784 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.08 21.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 2.49 110.605 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -142.69 138.12 30.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 3.96 111.564 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 3.6 p-10 -117.09 148.25 41.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 3.14 110.609 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.41 ' HA ' HG13 ' A' ' 59' ' ' ILE . 13.3 p -81.4 147.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 2.51 111.424 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -110.15 145.01 37.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 3.84 110.86 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -120.45 145.14 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 4.98 110.521 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.35 149.84 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 3.04 110.78 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -86.34 33.69 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 3.88 111.59 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -89.63 -0.12 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 3.52 111.013 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 60.71 176.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.184 -0.462 . . . . 4.49 111.085 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 39.38 51.11 2.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 2.84 111.643 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.6 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 15.4 tppt? -86.26 -58.72 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.74 110.922 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.598 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . . . -160.11 119.75 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 1.97 111.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -128.15 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.006 -0.543 . . . . 2.27 110.558 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HG ' HG13 ' A' ' 49' ' ' VAL . 5.3 mp -127.0 151.52 48.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 2.78 111.347 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -159.37 165.8 32.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 3.11 110.533 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.11 86.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 2.5 112.849 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.74 -178.13 16.49 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.628 -0.796 . . . . 2.96 112.633 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.09 0.85 9.3 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.459 2.106 . . . . 4.5 111.962 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.1 140.93 36.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 3.36 110.783 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.33 11.8 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 5.04 110.7 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 44.34 1.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 2.03 112.344 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 t -54.28 142.92 24.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 2.23 111.253 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -97.72 133.71 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 3.57 110.65 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.84 146.95 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 4.36 111.345 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' HE2' ' A' ' 122' ' ' HIS . 61.3 tp -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 3.01 110.445 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.522 ' HB ' HG23 ' A' ' 121' ' ' VAL . 3.5 mp -102.85 -71.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 2.89 111.541 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.497 ' HG2' HG21 ' A' ' 91' ' ' ILE . 14.2 pt20 -159.33 171.92 18.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.82 0.343 . . . . 3.0 111.131 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.55 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 40.2 p90 -148.02 146.38 28.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.76 111.114 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -120.5 169.58 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 1.36 110.873 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -109.71 149.51 29.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 3.9 111.089 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -113.21 169.82 8.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 2.17 110.982 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -176.05 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 6.63 110.749 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' HA2' HG23 ' A' ' 241' ' ' VAL . . . -136.44 7.44 3.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.52 -0.848 . . . . 3.04 113.244 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 -35.3 7.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.918 0.359 . . . . 4.64 111.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.2 mt -154.22 117.47 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 5.7 110.423 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.72 83.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 5.38 110.521 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' HA3' HG22 ' A' ' 241' ' ' VAL . . . -91.16 -45.72 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 4.71 112.293 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -139.15 131.87 29.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 5.24 110.9 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.47 ' HA2' ' HG3' ' A' ' 113' ' ' LYS . . . 72.55 -11.99 3.84 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.79 -0.719 . . . . 2.08 113.119 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.1 t 64.59 133.04 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.014 0.435 . . . . 2.22 111.245 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.86 -13.75 17.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 2.64 110.744 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -100.66 175.07 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 2.79 110.586 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 61.4 m -82.11 127.27 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 2.38 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.1 m -83.51 159.54 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.7 111.54 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 112' ' ' LYS . 16.2 t70 -122.16 74.72 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.644 -0.707 . . . . 2.18 110.136 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 67.62 -2.41 1.35 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.9 -0.591 . . . . 3.86 111.288 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 110' ' ' ASP . 53.0 pttt -136.41 120.71 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 4.34 110.821 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HG3' ' HA2' ' A' ' 104' ' ' GLY . 24.7 ttmm -80.39 149.32 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 3.01 110.956 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.93 98.98 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 2.48 110.332 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.84 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 2.1 111.098 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -123.93 168.04 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.99 110.569 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 43.2 mt-10 -150.48 141.6 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.868 0.366 . . . . 2.4 111.566 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.582 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.5 mt -86.57 148.17 25.62 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.081 -0.509 . . . . 2.52 110.41 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 97.74 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 1.93 111.264 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.55 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 8.3 mp -89.39 134.55 34.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.406 . . . . 2.98 110.29 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.522 HG23 ' HB ' ' A' ' 91' ' ' ILE . 7.2 m -103.26 121.64 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 2.44 111.444 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.419 ' HE2' HD12 ' A' ' 90' ' ' LEU . 21.8 m-70 -131.71 158.57 40.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.033 -0.53 . . . . 3.2 110.749 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -169.86 143.51 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 4.68 110.608 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.22 127.87 33.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 2.56 111.097 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 t -74.52 -14.69 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 2.19 110.917 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.84 -26.88 59.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 4.02 110.941 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.665 ' HH ' ' HA2' ' A' ' 139' ' ' GLY . 97.6 m-85 -79.61 -27.85 41.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 4.5 111.042 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.79 -71.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 2.38 112.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.39 172.04 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 3.07 110.945 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -55.73 -37.78 68.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 3.61 110.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.82 68.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.843 -0.694 . . . . 2.51 112.565 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -88.89 -25.16 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 4.04 110.754 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.79 -39.91 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 2.12 111.132 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.65 -11.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 2.79 111.29 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.08 -10.45 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 4.15 110.773 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -138.2 129.57 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.01 -0.541 . . . . 3.37 110.512 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.45 -32.69 24.79 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 2.89 112.282 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -106.91 26.59 9.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 2.64 110.69 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.665 ' HA2' ' HH ' ' A' ' 127' ' ' TYR . . . -99.88 -18.27 23.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.797 -0.716 . . . . 1.75 112.474 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -126.48 151.61 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 2.23 110.907 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.3 135.37 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 1.5 111.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.47 HG23 HG12 ' A' ' 206' ' ' VAL . 27.8 t -105.52 121.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 1.88 111.077 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.406 HD12 ' HB ' ' A' ' 209' ' ' ILE . 4.5 mm? -85.94 106.36 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 2.67 111.15 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -100.15 109.9 3.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.902 -0.666 . . . . 1.4 112.251 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.587 HD11 ' HG ' ' A' ' 211' ' ' LEU . 48.6 mm -104.28 143.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 2.06 111.292 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 53.2 p90 -108.54 151.44 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 5.19 110.96 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.0 mt -122.36 119.84 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 3.73 110.613 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -114.18 138.36 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 4.63 110.994 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.88 135.89 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 3.58 110.726 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.9 -167.63 20.94 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.936 -0.65 . . . . 3.15 111.838 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.0 m 55.95 53.97 8.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.073 0.463 . . . . 4.35 110.392 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.28 117.26 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 4.28 111.518 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 36.8 ttmt -102.25 136.6 19.39 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.155 -0.475 . . . . 5.57 110.648 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.35 -29.98 7.14 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.507 2.138 . . . . 3.3 112.54 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.21 2.8 68.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 2.71 112.834 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 45.4 tp -68.32 -12.49 61.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 4.34 110.695 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.33 -21.58 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 4.04 110.689 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -50.43 -47.13 56.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 5.16 111.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.404 ' HA ' HG12 ' A' ' 162' ' ' VAL . 11.8 p -84.45 -22.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.311 -0.404 . . . . 3.48 111.237 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.89 -32.06 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 3.6 111.131 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -73.67 -49.24 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 3.01 110.896 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 159' ' ' VAL . 12.1 p -66.39 -24.3 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 3.02 110.903 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.73 -39.14 93.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 2.72 111.219 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.59 -12.46 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 2.42 110.873 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.9 m -83.19 -34.18 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 2.22 111.139 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.413 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -104.31 51.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.891 0.377 . . . . 3.02 110.84 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 168' ' ' THR . 9.4 ptpp? -50.4 -41.67 52.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.142 -0.481 . . . . 4.14 110.772 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 p -111.3 144.73 40.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 2.82 110.616 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -66.56 146.07 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 3.97 111.107 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.68 -25.36 15.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.838 -0.696 . . . . 2.38 112.446 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.03 176.89 9.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 3.72 111.073 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 36.5 t -135.81 172.93 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.818 -0.628 . . . . 2.54 110.984 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.09 142.57 18.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 2.36 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -92.5 134.04 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 3.74 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -156.16 107.39 2.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 5.29 110.611 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.9 t -128.67 -178.66 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 5.01 111.079 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 64.34 57.19 1.21 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.023 0.44 . . . . 7.01 111.219 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -87.12 139.67 30.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.459 . . . . 5.44 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.69 112.44 34.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 3.92 111.229 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.25 -7.86 13.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.556 2.171 . . . . 5.03 112.549 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -66.28 -30.08 70.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.383 -0.372 . . . . 9.4 110.976 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -74.72 2.35 48.98 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.686 -0.769 . . . . 3.43 112.575 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 95.1 mt -111.98 19.1 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.681 0.277 . . . . 6.25 110.99 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 2.5 pt? -55.85 145.83 50.68 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 5.0 110.718 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 15.6 Cg_exo -68.58 126.89 14.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.593 2.195 . . . . 4.45 112.41 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.83 -45.7 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 6.38 110.746 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.8 m -151.82 159.43 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 5.39 110.781 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 74.4 mt -93.85 59.06 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 4.68 110.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -147.95 168.47 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 3.78 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -139.94 -179.94 6.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 3.57 110.778 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.636 ' HA ' ' HB2' ' A' ' 257' ' ' ALA . 8.3 t-105 -145.07 111.49 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 4.84 110.251 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.8 t -114.79 153.63 30.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 2.03 111.185 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -160.34 87.08 1.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 3.02 110.923 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.654 ' HA ' HG22 ' A' ' 207' ' ' THR . 36.4 Cg_endo -65.57 127.72 18.62 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.192 1.928 . . . . 1.7 111.981 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.77 -166.78 15.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 1.85 112.715 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . 92.3 p -116.2 -171.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.676 0.274 . . . . 2.97 110.874 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 203' ' ' LEU . 21.8 tp -59.44 167.04 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 6.37 110.804 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 76.8 p -55.2 -23.73 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.154 0.502 . . . . 5.44 110.549 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.506 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 23.6 p -90.3 165.66 22.76 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 5.31 110.358 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.506 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 78.8 Cg_exo -42.83 160.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.457 2.105 . . . . 6.09 112.673 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -40.14 96.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.84 2.36 . . . . 6.63 112.717 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.93 -46.56 0.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 5.85 111.17 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.514 HD13 HD21 ' A' ' 197' ' ' LEU . 57.6 mt -124.8 113.45 17.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 5.45 111.574 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.58 14.49 29.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 3.98 110.82 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 6.23 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 3.13 110.541 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 142' ' ' VAL . 16.2 t -125.05 121.45 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 2.42 111.031 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.654 HG22 ' HA ' ' A' ' 194' ' ' PRO . 30.9 m -113.04 146.49 39.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 1.8 110.963 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.83 108.65 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 3.11 111.124 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -115.39 146.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 2.13 110.692 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 21.6 t -122.32 137.07 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.73 111.11 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.587 ' HG ' HD11 ' A' ' 145' ' ' ILE . 63.4 mt -64.86 167.61 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 4.37 110.938 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 185' ' ' PRO . 63.5 pttt -68.59 -28.99 67.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 6.2 111.268 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.27 90.79 50.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 5.91 111.124 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.04 127.45 16.02 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.389 2.06 . . . . 4.22 112.132 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 19.2 tt -82.31 151.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 4.88 111.178 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 77.9 p -131.34 165.84 22.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 3.8 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.43 ' HB ' HE21 ' A' ' 221' ' ' GLN . 29.9 m -114.32 147.5 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 3.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.594 ' HG ' ' H ' ' A' ' 153' ' ' LYS . 51.7 m -92.73 150.59 20.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 3.66 110.806 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.476 ' HA ' HG22 ' A' ' 222' ' ' VAL . 39.7 t -70.83 -13.25 61.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 3.12 110.967 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.13 -35.61 41.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 4.51 111.479 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . 0.43 HE21 ' HB ' ' A' ' 217' ' ' VAL . 7.7 pt20 -80.22 -36.85 34.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.7 0.286 . . . . 4.63 111.197 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 219' ' ' SER . 18.1 m -76.84 -6.5 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.39 . . . . 2.92 110.732 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.92 -35.51 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 3.21 110.209 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -75.48 -24.93 56.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.833 -0.621 . . . . 4.23 110.739 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -63.39 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 4.01 110.74 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.37 -33.91 74.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 5.4 110.667 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -75.3 -23.91 57.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 3.8 110.69 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 86.5 mt -88.03 162.13 16.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.025 -0.534 . . . . 3.46 110.821 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.11 145.96 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 3.16 110.598 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -73.2 3.1 6.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 6.2 111.177 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -152.96 166.84 31.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 4.89 110.608 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . 0.441 ' N ' ' HB2' ' A' ' 169' ' ' LYS . . . -65.12 170.69 25.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.609 -0.805 . . . . 4.09 112.386 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.64 156.64 38.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 7.57 110.915 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.87 55.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 6.57 112.195 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -102.42 152.84 38.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.565 0.221 . . . . 5.7 110.83 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.34 142.21 78.23 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.616 2.211 . . . . 7.04 112.422 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.83 103.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 6.78 110.844 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.29 148.16 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 5.03 110.828 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.92 146.87 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 5.59 110.927 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.55 ' HG3' HG12 ' A' ' 241' ' ' VAL . 25.6 ptt? -54.1 -30.98 50.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.876 -0.602 . . . . 5.6 111.192 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . 0.55 HG12 ' HG3' ' A' ' 240' ' ' MET . 8.2 p -158.84 149.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 3.98 110.988 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -149.08 26.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 3.67 110.364 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -129.53 34.34 4.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 4.18 111.171 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -97.1 132.75 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 3.85 110.896 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -141.11 150.9 60.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 4.15 111.117 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.16 136.51 20.18 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.582 2.188 . . . . 2.75 112.362 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -93.63 164.76 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 3.18 111.527 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -129.53 99.42 20.97 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 5.96 110.241 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.14 123.84 11.78 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.318 2.012 . . . . 4.47 112.591 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.03 -40.29 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 4.44 110.635 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.6 29.26 13.13 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.612 -0.722 . . . . 7.2 111.177 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -127.52 -56.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 5.62 111.126 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -74.47 143.94 44.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 6.22 111.172 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.47 168.6 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 3.56 110.891 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.4 mp -105.53 111.51 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 2.59 110.838 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.95 103.01 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 3.38 110.795 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.636 ' HB2' ' HA ' ' A' ' 191' ' ' TRP . . . -125.44 168.34 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.68 111.006 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.6 t -78.37 -13.48 59.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 2.4 110.194 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -111.73 154.52 24.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.83 110.575 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.902 . . . . 4.92 111.21 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.443 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.748 0.309 . . . . 33.06 111.111 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -158.07 -55.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 30.18 111.246 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -81.57 -13.7 57.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 30.03 111.076 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -60.07 -56.42 21.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 27.02 110.98 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -103.28 124.72 49.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 25.84 110.844 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.51 -179.66 38.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.814 -0.708 . . . . 23.39 112.475 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -163.53 -54.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 23.38 111.055 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.1 68.46 0.32 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.712 -0.756 . . . . 19.99 112.726 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.44 -15.68 63.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 19.51 110.568 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -75.08 -22.16 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 18.49 110.762 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -115.97 -9.39 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 18.8 110.703 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.63 166.71 25.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.744 -0.741 . . . . 16.54 112.444 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.32 100.41 1.23 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.497 2.132 . . . . 16.15 112.234 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -82.5 148.15 28.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 15.32 111.02 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -134.73 129.63 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 16.15 111.09 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -65.07 -12.25 48.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 11.77 110.737 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' HD1' ' HA ' ' A' ' 24' ' ' LYS . 31.9 m-70 -74.68 -38.92 62.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 13.21 111.242 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -83.22 -2.25 55.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 16.22 111.418 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.87 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 12.96 110.896 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.8 122.14 34.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.55 110.756 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -61.84 -3.39 3.63 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.62 2.213 . . . . 10.34 112.545 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG22 ' HD2' ' A' ' 27' ' ' ARG . 1.9 mp -68.5 -42.29 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 8.43 110.196 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.18 36.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.702 -0.681 . . . . 9.55 110.386 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HA ' ' HD1' ' A' ' 17' ' ' HIS . 85.0 tttt -70.43 -11.31 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 13.54 110.397 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.23 59.63 2.13 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.877 -0.678 . . . . 8.88 112.512 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -170.56 48.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 8.92 110.862 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.518 ' HA ' ' HB ' ' A' ' 198' ' ' THR . 16.9 ptm180 -92.01 -6.23 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 10.3 110.444 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.848 -0.614 . . . . 6.98 110.779 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 p -115.65 98.51 51.01 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.423 -0.353 . . . . 3.85 111.29 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . 34.8 Cg_endo -66.06 128.17 19.1 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.527 2.151 . . . . 3.29 112.49 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 32' ' ' ASP . 21.7 t -127.07 166.18 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.03 -0.532 . . . . 2.72 110.26 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' N ' HG12 ' A' ' 31' ' ' VAL . 13.1 t70 -88.8 98.46 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.885 0.374 . . . . 2.44 110.5 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 109' ' ' VAL . 3.4 mp -81.5 137.63 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 1.95 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.04 129.31 55.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 1.53 111.051 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -80.16 -34.59 37.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.847 -0.615 . . . . 2.28 110.807 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -64.46 -39.86 94.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 4.16 110.736 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.2 p -81.46 -21.59 38.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 2.26 110.869 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.02 152.76 31.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.513 . . . . 1.59 111.089 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -132.89 128.71 37.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.398 -0.365 . . . . 4.1 110.799 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 41.4 p90 -94.55 134.74 36.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 4.34 110.983 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.49 ' H ' ' HA ' ' A' ' 258' ' ' SER . 3.3 p30 -130.19 127.42 22.58 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.243 -0.435 . . . . 3.04 110.972 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.09 32.74 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.445 2.096 . . . . 2.51 112.55 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -66.62 -17.83 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 3.54 111.233 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.572 HD12 ' HA3' ' A' ' 81' ' ' GLY . 52.2 tp -132.35 124.59 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 3.49 111.053 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -108.74 138.91 20.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 4.66 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.75 125.45 17.26 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.219 1.946 . . . . 2.89 111.743 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -103.5 -66.39 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 5.61 110.695 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.8 m -135.72 109.83 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 3.01 110.768 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 79' ' ' LEU . 45.7 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 2.88 111.363 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -113.53 149.02 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 2.94 110.467 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -175.06 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 5.23 111.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.86 -25.55 63.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 4.17 110.429 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.55 -15.66 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 5.15 110.841 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . . . -53.53 125.27 17.48 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.268 -0.424 . . . . 2.19 110.873 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 m -125.59 143.3 51.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 2.31 111.468 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.4 t -96.41 153.9 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 2.24 110.501 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 71' ' ' ASP . 57.9 mt -92.04 -38.78 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 4.0 111.138 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.564 HH21 ' HB3' ' A' ' 172' ' ' SER . 11.1 ptm180 -179.49 162.12 1.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.213 -0.449 . . . . 5.17 111.075 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.442 HG12 HG12 ' A' ' 68' ' ' VAL . 50.3 mt -122.57 103.35 13.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 2.2 110.386 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 61' ' ' ASN . 3.3 tm? -113.71 133.87 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 3.06 110.765 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' HD11 ' A' ' 60' ' ' LEU . 2.2 m-20 -107.8 155.13 20.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 2.16 110.722 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 3.54 110.895 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.24 -4.22 64.65 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.683 -0.77 . . . . 2.67 112.03 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -139.47 -68.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 5.03 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.79 154.56 34.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 2.49 111.071 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -164.65 145.12 7.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 3.96 110.47 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 94' ' ' HIS . 1.1 m120 -81.17 143.37 32.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 3.14 110.671 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 59' ' ' ILE . 3.7 m -76.04 116.78 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 2.51 111.278 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -100.12 147.8 25.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 3.84 111.107 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.55 175.97 5.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 4.98 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' HD23 ' A' ' 57' ' ' LEU . 20.8 t70 -64.38 132.03 48.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 3.04 110.835 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.52 -19.73 15.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 3.88 111.466 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -71.77 -14.74 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 3.52 111.015 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -131.34 -173.34 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 4.49 110.651 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.91 105.68 3.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 2.84 111.065 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 pttm -129.62 28.94 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 3.74 110.958 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 54' ' ' ALA . . . -161.36 118.03 2.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 1.97 110.757 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.71 167.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 2.27 111.336 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 64.2 tp -148.26 124.87 11.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 2.78 111.219 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -157.56 138.94 13.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 3.11 110.823 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.572 ' HA3' HD12 ' A' ' 44' ' ' LEU . . . -91.79 -176.3 42.69 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.912 -0.661 . . . . 2.5 112.689 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.68 -88.86 0.02 OUTLIER Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.021 -0.609 . . . . 2.96 113.009 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.81 -14.94 29.5 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.572 2.182 . . . . 4.5 112.586 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD12 ' HA3' ' A' ' 81' ' ' GLY . 75.1 mt -71.8 132.6 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 3.36 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.4 65.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 5.04 110.513 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.65 92.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.969 -0.634 . . . . 2.03 112.161 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -61.73 141.56 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 2.23 111.55 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.539 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 77.3 m-85 -112.03 117.3 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 3.57 110.635 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -88.7 138.55 31.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 4.36 111.046 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.513 HD22 HD12 ' A' ' 120' ' ' LEU . 6.6 mp -85.34 131.5 34.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 3.01 110.571 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.2 mp -103.18 -68.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.469 -0.332 . . . . 2.89 111.216 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.453 ' HG2' HG21 ' A' ' 91' ' ' ILE . 9.6 pt20 -159.39 161.8 35.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 3.0 111.187 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.413 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 36.1 p90 -142.73 163.16 33.56 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.843 0.354 . . . . 1.76 110.833 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.564 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.6 p-80 -130.51 168.2 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 1.36 110.805 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -128.9 143.12 50.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.9 111.587 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -96.68 170.79 8.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.948 -0.569 . . . . 2.17 110.22 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.438 ' H ' ' ND2' ' A' ' 243' ' ' ASN . 79.5 m95 -148.74 106.28 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.655 -0.248 . . . . 6.63 110.96 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.94 161.39 3.86 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.897 -0.668 . . . . 3.04 112.718 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.1 t -77.17 -28.29 54.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 4.64 111.017 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' GLN . 52.1 tp -89.47 153.35 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 5.7 110.757 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.73 39.74 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 5.38 111.009 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.84 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 4.71 112.538 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.2 pt20 -164.58 162.4 21.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 5.24 111.064 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.0 62.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.74 -0.743 . . . . 2.08 112.722 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.48 ' HG ' ' HG3' ' A' ' 117' ' ' GLU . 29.0 t -101.02 177.28 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.697 0.284 . . . . 2.22 110.722 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 43.0 mt-10 -80.97 -73.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 2.64 110.986 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -66.7 172.66 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 2.79 110.827 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.6 m -153.17 98.36 2.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.198 -0.455 . . . . 2.38 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 21.3 m -95.64 145.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 2.7 111.331 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.9 t70 53.17 32.77 13.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 2.18 110.937 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 24.94 10.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 3.86 111.391 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -121.2 117.93 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 4.34 110.853 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -89.11 147.77 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.01 110.693 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.408 ' HE2' HG21 ' A' ' 109' ' ' VAL . 70.7 m-85 -112.68 174.31 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 2.48 110.908 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -72.75 -43.15 63.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 2.1 110.76 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -167.43 177.89 5.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.568 . . . . 1.99 110.743 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 49.4 mt-10 -150.04 136.6 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 2.4 110.902 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 147' ' ' LEU . 3.6 pp -86.55 147.87 25.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.08 -0.341 . . . . 2.52 110.08 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.564 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 12.5 m170 -120.3 113.58 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 1.93 111.411 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.513 HD12 HD22 ' A' ' 90' ' ' LEU . 7.0 tt -104.3 131.78 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 2.98 110.764 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 t -113.88 123.87 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 2.44 111.284 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.539 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 8.4 p80 -131.79 109.55 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 3.2 110.899 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -90.84 142.83 27.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.339 -0.391 . . . . 4.68 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.543 HD21 ' N ' ' A' ' 125' ' ' THR . 0.2 OUTLIER -62.18 128.58 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 2.56 110.495 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.543 ' N ' HD21 ' A' ' 124' ' ' ASN . 31.8 p -68.97 -14.7 63.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.606 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HG3' ' ND2' ' A' ' 124' ' ' ASN . 54.2 mtpt -66.66 -27.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 4.02 110.801 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -96.84 -12.02 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 4.5 110.849 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.48 -60.19 4.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.744 . . . . 2.38 112.556 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -136.36 163.28 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 3.07 110.995 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.413 ' O ' HG12 ' A' ' 134' ' ' VAL . 30.8 p90 -61.44 -19.4 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 3.61 111.15 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.42 -46.91 93.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.613 -0.804 . . . . 2.51 112.607 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -89.78 -17.45 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 4.04 111.0 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.443 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -74.1 -41.62 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 2.12 111.35 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 130' ' ' PHE . 22.0 m -61.52 -11.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 2.79 111.699 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.18 -26.7 62.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 4.15 110.607 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -112.96 151.07 43.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 3.37 110.733 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.48 -31.27 61.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.525 2.15 . . . . 2.89 112.05 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -107.66 10.34 29.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.64 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -55.63 -42.36 84.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.878 -0.677 . . . . 1.75 112.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.5 pt? -140.23 146.68 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 2.23 111.176 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 156.68 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 1.5 110.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.39 116.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 1.88 111.915 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.409 ' HB2' ' HE2' ' A' ' 122' ' ' HIS . 63.8 tp -85.64 140.02 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 2.67 110.343 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.49 135.49 8.08 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.513 -0.851 . . . . 1.4 112.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.5 mt -126.7 142.41 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 2.06 110.61 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.494 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 72.9 m-85 -81.9 160.05 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 5.19 111.195 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 118' ' ' LEU . 79.4 mt -141.36 96.69 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.007 -0.542 . . . . 3.73 110.84 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -115.14 150.1 36.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 4.63 110.989 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.16 152.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 3.58 110.981 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.88 -176.85 18.18 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.639 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m 66.03 138.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.021 0.438 . . . . 4.35 111.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.65 166.47 21.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 4.28 111.148 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -108.15 138.77 20.22 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.462 . . . . 5.57 110.656 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.65 0.24 1.59 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.666 2.244 . . . . 3.3 112.764 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.31 34.14 4.31 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.589 -0.815 . . . . 2.71 113.086 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.405 HD11 HG22 ' A' ' 159' ' ' VAL . 4.0 mm? -106.51 21.62 17.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 4.34 110.48 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.11 -43.05 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 4.04 111.495 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -61.16 -36.41 79.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 5.16 111.229 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.405 HG22 HD11 ' A' ' 156' ' ' LEU . 84.3 t -63.12 -43.68 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 3.48 111.459 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.78 -13.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.467 -0.333 . . . . 3.6 111.6 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -55.24 -19.41 8.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.953 0.406 . . . . 3.01 111.173 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 176' ' ' THR . 11.2 p -56.35 -17.91 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 3.02 111.974 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -60.8 -26.68 67.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 2.72 111.404 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.69 -12.23 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 2.42 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.4 t -77.37 -27.56 52.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 2.22 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 171' ' ' LYS . 3.1 mp -101.7 51.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 3.02 111.362 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -54.53 -48.3 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 4.14 110.253 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.0 p -100.43 154.65 18.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.821 -0.627 . . . . 2.82 110.613 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 239' ' ' LEU . 11.7 mptt -79.72 143.2 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 3.97 110.69 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 6.82 23.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 2.38 112.681 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . 0.452 ' HB3' HG22 ' A' ' 166' ' ' ILE . 17.7 tppt? -108.77 152.21 25.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 3.72 110.628 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' SER . . . . . 0.564 ' HB3' HH21 ' A' ' 58' ' ' ARG . 88.5 p -96.86 146.0 25.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 2.54 110.81 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -98.24 144.16 27.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 2.36 111.617 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.76 158.22 22.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.589 . . . . 3.74 110.989 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -47.66 105.04 0.06 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.099 -0.5 . . . . 5.29 110.896 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.532 HG22 HG13 ' A' ' 162' ' ' VAL . 51.6 p -144.52 -172.63 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 5.01 111.398 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 59.6 t30 57.92 57.02 4.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.773 -0.648 . . . . 7.01 111.314 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -105.25 128.47 53.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 5.44 110.817 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.66 77.33 47.41 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 3.92 111.098 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.73 -8.23 22.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 5.03 112.216 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -82.93 -6.77 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 9.4 111.088 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -79.6 62.91 4.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.759 -0.734 . . . . 3.43 112.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 6.6 mp -86.37 12.43 10.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 6.25 110.623 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -52.67 147.77 14.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 5.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.46 133.22 14.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.526 2.151 . . . . 4.45 112.512 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.18 -11.21 59.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 6.38 111.059 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 65.0 p -71.21 94.8 1.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.455 . . . . 5.39 110.98 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.603 ' HG ' ' H ' ' A' ' 189' ' ' ASP . 7.3 tp -165.56 -161.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 4.68 110.482 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.603 ' H ' ' HG ' ' A' ' 188' ' ' LEU . 11.1 m-20 -111.42 -179.1 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 3.78 110.847 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 258' ' ' SER . 27.6 p90 -169.85 149.98 3.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.353 -0.385 . . . . 3.57 110.707 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 21.8 m95 -72.51 144.77 47.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 4.84 110.788 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.5 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 4.8 t -152.41 129.79 11.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.455 -0.338 . . . . 2.03 111.411 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -156.51 127.67 3.66 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.333 -0.394 . . . . 3.02 110.841 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.35 133.75 16.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.376 2.051 . . . . 1.7 112.355 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -108.48 165.8 12.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 1.85 112.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 14.3 m -116.41 -173.94 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.382 -0.229 . . . . 2.97 110.382 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.426 ' H ' ' HB2' ' A' ' 203' ' ' LEU . 7.1 tp -68.42 -154.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.678 -0.237 . . . . 6.37 110.46 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' THR . . . . . 0.518 ' HB ' ' HA ' ' A' ' 27' ' ' ARG . 5.8 t -80.43 -6.65 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.088 0.47 . . . . 5.44 110.583 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.487 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 28.3 p -106.08 165.51 12.89 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.705 -0.68 . . . . 5.31 110.496 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 82.4 Cg_exo -43.31 163.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.581 2.187 . . . . 6.09 112.478 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -37.4 95.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.942 2.428 . . . . 6.63 113.103 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.15 -54.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.949 -0.569 . . . . 5.85 110.538 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.426 ' HB2' ' H ' ' A' ' 197' ' ' LEU . 4.0 mm? -90.44 167.0 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 5.45 110.746 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.51 44.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 3.98 111.221 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -98.48 12.36 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.061 0.458 . . . . 3.13 110.155 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.35 133.92 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.568 -0.742 . . . . 2.42 111.128 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 27.0 m -113.15 141.57 46.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 1.8 110.603 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -102.62 108.27 19.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 3.11 110.549 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 209' ' ' ILE . 4.4 mp -112.18 150.11 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.13 110.82 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 94.1 t -127.69 122.14 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 2.73 110.867 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.586 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 40.9 tp -56.64 143.53 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 4.37 110.721 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.678 ' HD2' ' H ' ' A' ' 212' ' ' LYS . 0.0 OUTLIER -62.77 -21.73 66.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 6.2 111.25 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.586 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 36.8 tt0 -133.78 84.35 44.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 5.91 110.804 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.24 134.34 63.62 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.556 2.171 . . . . 4.22 112.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.1 mt -74.74 147.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.5 . . . . 4.88 110.89 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 84.3 p -134.26 144.51 48.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.976 0.417 . . . . 3.8 111.245 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 218' ' ' SER . 13.5 p -101.67 159.78 4.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 3.0 110.295 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' SER . . . . . 0.407 ' N ' HG21 ' A' ' 217' ' ' VAL . 70.4 m -103.99 150.55 24.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 3.66 111.051 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 79.7 p -60.51 -18.0 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 3.12 110.833 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.0 -22.71 27.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 4.51 110.753 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -77.43 -28.68 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 4.63 111.094 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.24 -20.43 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 2.92 111.149 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 219' ' ' SER . 94.3 mt -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 3.21 110.807 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.28 -14.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 4.23 110.951 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -77.02 -22.38 53.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 4.01 110.551 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -70.31 -5.79 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 5.4 111.219 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -69.06 -25.92 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 3.8 110.927 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.04 162.22 29.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 3.46 110.845 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . 0.45 ' H ' ' NZ ' ' A' ' 169' ' ' LYS . 58.5 m-20 -111.4 145.94 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 3.16 111.268 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.439 ' HB2' ' HG3' ' A' ' 240' ' ' MET . 34.6 p90 -96.63 -15.16 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.085 -0.507 . . . . 6.2 110.914 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . 0.425 ' N ' ' HB2' ' A' ' 238' ' ' GLU . 27.6 t-20 177.71 137.03 0.07 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.914 -0.585 . . . . 4.89 110.601 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -127.17 158.25 20.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.594 -0.812 . . . . 4.09 112.191 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -85.82 143.69 28.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 7.57 110.755 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 63.77 12.59 48.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.804 -0.712 . . . . 6.57 112.585 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.91 152.85 73.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.43 0.157 . . . . 5.7 110.809 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -51.32 162.73 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.455 2.104 . . . . 7.04 112.358 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.81 143.98 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 6.78 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . 0.425 ' HB2' ' N ' ' A' ' 231' ' ' ASN . 13.3 mm-40 -111.95 159.32 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 5.03 110.883 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . 0.459 ' HB3' ' HE2' ' A' ' 169' ' ' LYS . 55.9 tp -56.63 102.45 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 5.59 111.447 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.439 ' HG3' ' HB2' ' A' ' 230' ' ' PHE . 58.5 ttp -100.15 147.05 26.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 5.6 110.336 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.55 126.61 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 3.98 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -173.5 37.31 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.392 -0.367 . . . . 3.67 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 97' ' ' TRP . 36.0 m-80 -83.87 55.76 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 4.18 110.966 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -106.56 134.24 50.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.545 . . . . 3.85 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -140.73 153.86 68.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 4.15 110.843 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.42 173.11 4.59 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.553 2.169 . . . . 2.75 112.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -161.45 43.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 3.18 110.786 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 125.58 80.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 5.96 110.817 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.29 128.01 15.81 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.392 2.062 . . . . 4.47 112.41 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.12 -35.5 42.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 4.44 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.6 tptm 63.22 25.89 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.782 -0.645 . . . . 7.2 110.034 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -127.0 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 5.62 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -71.12 156.39 39.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 6.22 111.334 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 162.95 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.564 . . . . 3.56 110.764 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.412 HG22 HG21 ' A' ' 33' ' ' ILE . 6.1 tp -116.09 126.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 2.59 110.946 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -96.7 151.15 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 3.38 110.929 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.5 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.72 172.48 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 1.68 111.23 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' SER . . . . . 0.49 ' HA ' ' H ' ' A' ' 41' ' ' ASP . 48.4 t -115.02 -13.69 11.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 2.4 110.634 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.433 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 92.7 t80 -111.71 147.42 35.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 3.83 110.592 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.212 -0.899 . . . . 4.92 110.926 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . 1.457 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.661 0.267 . . . . 33.06 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t 61.59 107.08 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.062 -0.517 . . . . 30.18 111.148 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -144.37 -58.63 0.37 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 30.03 111.199 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -86.25 121.03 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 27.02 110.96 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.4 m-90 -94.33 134.43 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 25.84 110.853 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.85 -178.56 37.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 23.39 112.492 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -124.61 -56.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 23.38 110.842 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.88 -62.13 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 19.99 112.513 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.39 -20.83 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 19.51 110.905 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.07 -22.99 52.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 18.49 110.548 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.19 9.13 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 18.8 111.013 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.37 166.04 24.57 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.537 -0.84 . . . . 16.54 112.667 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 83.68 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.653 2.235 . . . . 16.15 112.434 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -172.92 132.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 15.32 110.762 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -168.35 38.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 16.15 111.214 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -64.61 -40.03 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 11.77 110.931 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' HE2' ' HE3' ' A' ' 18' ' ' LYS . 18.0 p-80 -74.24 -14.91 60.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 13.21 111.128 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HE3' ' HE2' ' A' ' 17' ' ' HIS . 34.8 mmtp -76.69 -18.17 58.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 16.22 110.918 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.56 -54.64 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 12.96 110.684 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 91.1 m-85 -133.25 139.9 35.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 10.55 110.387 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 20' ' ' PHE . 17.2 Cg_exo -66.64 7.67 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.753 2.302 . . . . 10.34 113.177 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.629 HG21 ' HA ' ' A' ' 201' ' ' PRO . 4.1 mm -63.29 -39.37 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 8.43 110.543 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.94 -31.57 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 9.55 110.794 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.69 -12.13 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 13.54 110.036 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 73.32 0.16 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.599 -0.728 . . . . 8.88 112.081 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.99 -88.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.612 0.244 . . . . 8.92 111.198 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 58.17 22.44 9.12 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.132 0.491 . . . . 10.3 110.313 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.47 -45.4 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 6.98 110.984 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 48.8 m -78.44 137.49 59.58 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.231 -0.441 . . . . 3.85 111.259 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 16.2 Cg_exo -69.02 136.33 34.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.814 2.342 . . . . 3.29 112.45 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.5 p -131.18 175.5 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.496 . . . . 2.72 110.76 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.569 ' H ' HG22 ' A' ' 31' ' ' VAL . 21.2 t70 -86.39 98.58 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.44 110.332 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 HG22 HG12 ' A' ' 255' ' ' ILE . 2.4 mp -73.5 134.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 1.95 111.265 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB2' HG21 ' A' ' 37' ' ' THR . 3.7 m-20 -112.77 129.01 56.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 1.53 110.787 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 m -73.44 -17.39 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 2.28 110.502 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.33 -38.42 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 4.16 111.247 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 34' ' ' ASP . 9.8 t -75.72 -22.38 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.36 . . . . 2.26 111.156 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.95 147.69 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 1.59 110.751 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -105.48 151.23 24.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.951 0.405 . . . . 4.1 111.398 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.523 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 91.9 t80 -87.86 112.22 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.819 -0.628 . . . . 4.34 110.538 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -111.06 99.05 41.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.446 -0.343 . . . . 3.04 111.16 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.75 3.83 7.43 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.449 2.1 . . . . 2.51 112.382 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -69.93 -45.62 67.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 3.54 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.553 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 80.4 mt -70.83 157.9 37.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 3.49 110.801 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -106.79 155.93 38.15 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 4.66 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.25 125.88 11.0 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.486 2.124 . . . . 2.89 112.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.75 85.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 5.61 110.939 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.6 m -72.6 109.56 6.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 3.01 110.316 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.19 124.58 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 2.88 111.461 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.6 m -93.69 144.92 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 2.94 110.239 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -168.85 40.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 5.23 111.157 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.16 -28.41 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 4.17 110.218 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -109.83 5.55 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 5.15 110.816 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . . . -58.36 120.89 9.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 2.19 110.858 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.559 HG21 ' H ' ' A' ' 178' ' ' PHE . 57.6 m -157.34 142.63 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 2.31 111.043 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.8 p -91.4 156.44 17.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.24 110.596 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 46.6 tp -104.66 -39.09 6.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 4.0 111.254 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -175.95 139.09 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.394 -0.366 . . . . 5.17 111.23 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 tt -121.65 103.54 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.171 0.51 . . . . 2.2 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.64 175.88 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 3.06 111.321 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.437 HD21 ' HG3' ' A' ' 169' ' ' LYS . 2.9 m-20 -116.36 158.67 23.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.818 -0.628 . . . . 2.16 110.455 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -106.37 23.77 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.54 111.415 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.07 14.43 82.25 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.279 -0.963 . . . . 2.67 111.976 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -167.61 -53.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 5.03 110.76 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.09 145.72 48.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 2.49 110.733 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -120.82 136.45 54.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 3.96 111.695 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 17.0 m120 -133.39 153.21 51.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.841 -0.618 . . . . 3.14 110.43 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 93' ' ' PHE . 2.3 t -89.48 124.54 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.599 -0.273 . . . . 2.51 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -104.84 132.27 51.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 3.84 110.954 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -103.63 164.65 11.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 4.98 110.829 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.554 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 13.8 t70 -90.04 150.66 22.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.378 -0.374 . . . . 3.04 110.83 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.87 31.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 3.88 111.249 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 t -74.52 -45.01 48.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 3.52 110.94 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -147.97 -169.84 3.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 4.49 110.756 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.18 -21.2 58.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 2.84 110.407 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 71' ' ' ASP . 1.8 mptm? 61.05 -84.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 3.74 111.484 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . . . -135.38 134.03 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 1.97 111.371 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.91 158.44 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 2.27 110.944 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 10.0 mp -113.46 120.74 42.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.412 -0.358 . . . . 2.78 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.449 ' NZ ' HD13 ' A' ' 84' ' ' LEU . 32.4 mmmt -127.33 163.53 23.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.287 -0.415 . . . . 3.11 110.774 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.31 176.3 28.83 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.701 -0.761 . . . . 2.5 112.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.553 ' HA2' ' HB3' ' A' ' 44' ' ' LEU . . . 54.0 -151.36 12.59 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.739 -0.743 . . . . 2.96 112.069 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.462 ' HD3' HD12 ' A' ' 44' ' ' LEU . 36.1 Cg_exo -58.06 87.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.228 1.952 . . . . 4.5 111.373 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD13 ' NZ ' ' A' ' 80' ' ' LYS . 23.2 tp -66.04 131.47 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 3.36 111.756 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -158.49 36.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.91 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.41 126.61 5.88 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.862 -0.685 . . . . 2.03 111.969 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 t -49.13 125.66 11.14 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 2.23 111.314 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 85.7 m-85 -87.18 124.44 33.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.066 -0.515 . . . . 3.57 111.419 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -103.42 149.63 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 4.36 110.569 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.5 tp -87.29 136.0 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 3.01 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -112.92 -63.87 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.347 -0.388 . . . . 2.89 110.983 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.464 ' HB2' ' HB3' ' A' ' 67' ' ' ASN . 4.1 pt20 -159.24 154.55 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 3.0 110.756 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 68' ' ' VAL . 35.0 p90 -150.17 168.05 25.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.742 0.306 . . . . 1.76 111.039 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 22.8 p-80 -137.27 168.25 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.36 110.445 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.462 ' HA ' HD21 ' A' ' 118' ' ' LEU . 37.7 m-85 -111.26 160.34 17.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.056 0.455 . . . . 3.9 112.102 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.553 ' HD1' HD21 ' A' ' 243' ' ' ASN . 30.2 m-70 -127.38 170.97 11.95 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.742 -0.663 . . . . 2.17 110.323 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.452 ' HE1' HG12 ' A' ' 222' ' ' VAL . 38.6 t90 -173.06 100.47 0.13 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.791 0.329 . . . . 6.63 110.936 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.34 169.7 2.81 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.882 -0.675 . . . . 3.04 112.484 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.8 m -68.27 -31.29 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.292 . . . . 4.64 111.199 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.24 133.25 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 5.7 110.594 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.88 30.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 5.38 110.801 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.85 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.882 -0.675 . . . . 4.71 112.351 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -145.63 133.92 21.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.904 0.383 . . . . 5.24 111.099 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.24 58.49 0.03 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.761 -0.733 . . . . 2.08 112.709 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -100.88 -174.43 2.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 2.22 110.851 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' HG3' ' HB2' ' A' ' 245' ' ' ARG . 36.3 tt0 -84.83 -80.76 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 2.64 110.725 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -86.71 168.73 13.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 2.79 110.4 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.421 HG21 ' HA ' ' A' ' 113' ' ' LYS . 66.2 p -138.7 122.01 17.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 2.38 111.151 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.9 m -104.37 151.51 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 2.7 110.8 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 54.69 32.76 17.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.18 110.424 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 58.58 25.12 12.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 3.86 111.186 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -121.99 144.39 48.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 4.34 110.809 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HA ' HG21 ' A' ' 108' ' ' THR . 25.1 ttmm -109.44 151.28 26.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 3.01 110.955 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.38 169.46 8.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.27 -0.423 . . . . 2.48 110.721 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.72 -50.01 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.689 0.28 . . . . 2.1 111.35 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.84 -177.6 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 1.99 111.068 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -152.19 120.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 2.4 110.609 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 95' ' ' PHE . 39.4 mt -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 2.52 111.132 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.2 m170 -105.8 104.16 13.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 1.93 111.152 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 120' ' ' LEU . 6.6 mp -113.8 110.81 20.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 2.98 110.67 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.04 147.44 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 2.44 111.297 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 143' ' ' LEU . 72.4 m-70 -131.69 120.17 22.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 3.2 110.817 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.54 ' HB2' HG12 ' A' ' 91' ' ' ILE . 10.1 m95 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 4.68 110.987 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 124' ' ' ASN . 0.1 OUTLIER -57.06 129.76 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 2.56 110.754 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.0 t -63.0 -14.72 51.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.989 0.423 . . . . 2.19 111.297 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.607 ' HZ3' ' HB2' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -58.31 -13.96 6.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.655 -0.702 . . . . 4.02 111.361 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 0.5 OUTLIER -77.17 -29.75 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 4.5 111.457 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.24 -65.51 2.69 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.539 -0.839 . . . . 2.38 112.167 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.32 163.23 31.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 3.07 110.895 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -55.18 -43.7 74.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.369 . . . . 3.61 111.392 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.64 -27.4 27.07 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.981 -0.628 . . . . 2.51 112.931 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 75.9 mmtt -89.52 -32.18 17.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.763 0.316 . . . . 4.04 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 2.12 110.539 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.82 -22.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 2.79 111.101 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -80.94 -21.0 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 4.15 111.056 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -116.28 96.1 46.78 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.397 -0.365 . . . . 3.37 110.762 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.604 ' HB3' ' HG3' ' A' ' 204' ' ' GLU . 31.8 Cg_exo -58.29 -44.94 34.19 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.493 2.129 . . . . 2.89 112.584 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.44 15.55 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.408 . . . . 2.64 111.198 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.35 12.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.721 . . . . 1.75 112.507 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.524 ' N ' HD21 ' A' ' 140' ' ' LEU . 2.3 mm? -110.4 122.51 47.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 2.23 110.72 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.33 123.29 41.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.384 . . . . 1.5 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 207' ' ' THR . 40.2 t -90.53 117.87 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.88 111.064 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.409 ' HB3' ' HE2' ' A' ' 122' ' ' HIS . 55.3 tp -85.93 132.46 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 2.67 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -112.4 135.46 12.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 1.4 112.692 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.39 104.27 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 2.06 110.894 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.402 ' O ' HD21 ' A' ' 147' ' ' LEU . 85.5 m-85 -70.42 153.17 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 5.19 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 146' ' ' PHE . 68.6 mt -128.52 135.75 49.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 3.73 110.752 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -138.72 143.21 38.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 4.63 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.38 130.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.399 . . . . 3.58 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 142.34 160.25 8.27 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.72 . . . . 3.15 112.072 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.9 t 58.93 77.31 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 4.35 110.543 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.69 161.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 4.28 111.462 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.42 ' HZ2' ' HB2' ' A' ' 157' ' ' GLN . 19.7 pttp -66.3 146.73 99.05 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.435 . . . . 5.57 110.733 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.6 19.62 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.522 2.148 . . . . 3.3 112.372 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.83 54.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.872 -0.68 . . . . 2.71 112.337 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.06 28.4 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 4.34 110.486 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.42 ' HB2' ' HZ2' ' A' ' 153' ' ' LYS . 53.0 tt0 -52.5 -43.23 64.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.681 . . . . 4.04 111.47 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 5.16 111.083 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.46 -29.96 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 3.48 110.759 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.36 -22.19 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 3.6 110.926 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -80.35 -19.61 46.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 3.01 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 40.1 t -56.65 -30.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 3.02 111.124 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -32.47 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 2.72 111.111 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.23 -14.26 4.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 2.42 110.734 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -84.58 -31.09 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.075 -0.511 . . . . 2.22 111.03 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.461 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -133.77 45.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.016 0.436 . . . . 3.02 111.048 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.522 ' HZ2' ' HB2' ' A' ' 227' ' ' LYS . 79.1 tttt -78.55 -45.95 20.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 4.14 111.118 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.3 p -91.33 149.9 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 2.82 111.078 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.5 OUTLIER -80.62 147.28 30.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 3.97 110.988 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.34 -19.91 21.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.938 -0.649 . . . . 2.38 112.435 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -109.33 155.95 20.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 3.72 110.81 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 95.0 p -125.16 164.34 20.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 2.54 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -168.02 135.01 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.331 -0.395 . . . . 2.36 111.063 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.85 137.52 32.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 3.74 110.878 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -146.31 115.35 6.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.371 -0.377 . . . . 5.29 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.2 p -110.78 179.62 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 5.01 110.591 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.65 48.41 18.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 7.01 111.245 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' PHE . . . . . 0.559 ' H ' HG21 ' A' ' 55' ' ' THR . 41.3 t80 -111.56 114.05 26.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 5.44 110.652 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.44 82.86 12.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 3.92 111.225 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.36 -44.37 1.14 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 5.03 112.004 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -87.25 -9.35 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 9.4 110.633 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -55.19 -29.01 51.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.634 -0.793 . . . . 3.43 112.377 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.86 -13.89 15.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 6.25 110.836 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.22 138.81 45.33 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.438 . . . . 5.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.63 146.41 16.88 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.648 2.232 . . . . 4.45 112.439 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.56 -12.01 59.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 6.38 111.428 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.9 t 59.11 -173.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.272 -0.422 . . . . 5.39 110.966 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.77 -92.03 0.49 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 4.68 110.704 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 259' ' ' PHE . 5.7 p-10 -61.33 165.69 4.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.593 -0.276 . . . . 3.78 110.53 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -169.45 171.12 7.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.448 . . . . 3.57 111.25 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.413 ' HE1' ' HD1' ' A' ' 259' ' ' PHE . 2.6 m-90 -131.1 147.68 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 4.84 109.826 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.3 t -143.69 141.24 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 2.03 111.995 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -121.1 87.56 44.02 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.819 -0.628 . . . . 3.02 110.247 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . 0.557 ' HA ' HG23 ' A' ' 207' ' ' THR . 59.0 Cg_exo -50.55 129.5 26.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.575 2.183 . . . . 1.7 112.493 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.6 -156.05 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 1.85 112.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 90.0 p -151.13 178.18 9.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 2.97 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.54 162.97 28.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 6.37 110.663 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 69.8 p -84.85 16.46 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.046 -0.524 . . . . 5.44 111.037 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 62.7 p -103.29 158.85 30.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 5.31 111.173 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.71 160.65 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.752 2.301 . . . . 6.09 112.807 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' PRO . . . . . 0.629 ' HA ' HG21 ' A' ' 22' ' ' ILE . 77.6 Cg_exo -49.24 98.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.707 2.271 . . . . 6.63 112.607 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.445 ' N ' HG13 ' A' ' 22' ' ' ILE . 38.5 tp -172.75 -28.84 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.262 -0.426 . . . . 5.85 111.301 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.52 156.08 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.071 0.462 . . . . 5.45 111.403 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' GLU . . . . . 0.604 ' HG3' ' HB3' ' A' ' 137' ' ' PRO . 11.6 pt-20 -166.95 43.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.665 -0.698 . . . . 3.98 110.331 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 137' ' ' PRO . 68.0 m -88.64 14.3 10.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 3.13 110.706 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.57 110.78 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 2.42 111.222 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 194' ' ' PRO . 11.4 m -113.11 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.8 110.736 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -109.72 109.93 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 3.11 110.784 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' ILE . . . . . 0.484 ' N ' HD13 ' A' ' 209' ' ' ILE . 4.1 mp -108.59 145.89 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 2.13 110.678 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.99 136.49 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 2.73 111.059 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.636 ' HG ' ' H ' ' A' ' 212' ' ' LYS . 11.9 tp -76.2 -177.56 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 4.37 110.501 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . 0.636 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 64.3 tttm -61.56 -55.68 28.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.637 0.256 . . . . 6.2 111.09 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -165.84 70.25 1.24 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 5.91 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 211' ' ' LEU . 95.1 Cg_endo -85.7 126.9 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.549 2.166 . . . . 4.22 112.73 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 11.2 pt -154.72 114.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.033 -0.531 . . . . 4.88 110.736 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.3 m -135.36 102.64 5.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 3.8 111.494 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 90.4 t -146.07 136.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 3.0 110.879 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 33.4 t -116.95 177.02 4.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.35 . . . . 3.66 110.894 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 37.4 t -80.35 -46.91 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 3.12 110.603 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.74 -18.53 58.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 4.51 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -72.18 -38.38 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 4.63 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.452 HG12 ' HE1' ' A' ' 97' ' ' TRP . 58.7 t -78.58 -27.19 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 2.92 111.233 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.414 HD11 ' HD3' ' A' ' 226' ' ' ARG . 42.3 tp -63.93 -18.55 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 3.21 110.943 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -84.99 -31.57 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 4.23 111.015 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.66 -21.11 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 4.01 111.07 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' ARG . . . . . 0.414 ' HD3' HD11 ' A' ' 223' ' ' LEU . 75.5 mtp180 -68.17 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 5.4 110.72 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.522 ' HB2' ' HZ2' ' A' ' 167' ' ' LYS . 85.9 mttt -93.57 -15.14 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 3.8 110.828 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.62 158.45 4.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 3.46 110.986 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 238' ' ' GLU . 20.1 p-10 -139.23 138.3 36.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 3.16 111.117 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . 0.466 ' HA ' ' HG2' ' A' ' 240' ' ' MET . 72.7 t80 -61.22 -38.47 86.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.159 -0.473 . . . . 6.2 110.514 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -131.26 131.62 44.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 4.89 110.81 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -104.33 -142.0 11.37 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.833 -0.698 . . . . 4.09 112.54 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.39 147.56 30.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.833 0.349 . . . . 7.57 110.84 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 83.73 -9.09 63.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.764 -0.731 . . . . 6.57 112.17 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -138.81 155.1 73.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.347 0.117 . . . . 5.7 110.797 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.96 158.9 2.79 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.625 2.217 . . . . 7.04 112.417 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.49 92.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 6.78 111.008 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 229' ' ' ASN . 8.8 mm-40 -115.16 142.58 46.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 5.03 110.779 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 8.2 mp -96.57 140.44 31.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 5.59 110.676 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 240' ' ' MET . . . . . 0.466 ' HG2' ' HA ' ' A' ' 230' ' ' PHE . 0.0 OUTLIER -82.71 44.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 5.6 110.523 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 34.1 m -117.74 -173.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 3.98 111.387 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 64.93 36.17 7.82 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 3.67 110.681 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 243' ' ' ASN . . . . . 0.553 HD21 ' HD1' ' A' ' 96' ' ' HIS . 19.4 m120 -83.84 48.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 4.18 110.906 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -105.3 142.96 34.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 3.85 110.72 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 245' ' ' ARG . . . . . 0.407 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 40.3 mmt180 -126.57 153.61 75.35 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 4.15 111.252 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.17 154.76 52.13 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.655 2.237 . . . . 2.75 112.622 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.22 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 3.18 110.721 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 54.2 tt0 -57.44 129.88 80.61 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.621 . . . . 5.96 110.987 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 249' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 22.8 Cg_exo -64.53 124.12 12.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.537 2.158 . . . . 4.47 112.224 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 65.2 mt -78.75 -48.93 13.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 4.44 110.707 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -166.2 -65.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 7.2 110.697 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -153.56 -66.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.513 . . . . 5.62 110.717 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 63.6 137.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 6.22 111.532 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -102.6 135.54 44.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.061 -0.518 . . . . 3.56 110.764 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . 0.458 HG12 HG22 ' A' ' 33' ' ' ILE . 4.6 mp -102.48 129.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 2.59 111.226 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -88.68 87.16 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 3.38 110.588 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -109.86 167.43 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.68 111.396 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 95.7 p -86.96 -24.94 24.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 2.4 110.454 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 259' ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' ' 189' ' ' ASP . 61.3 t80 -111.82 164.22 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 3.83 110.376 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 260' ' ' LYS . . . . . 0.523 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 68.2 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.189 -0.91 . . . . 4.92 111.266 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.378 0.132 . . . . 3.57 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 30.0 Cg_endo -63.91 125.05 14.58 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 2.88 112.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 249' ' ' PRO . 10.8 p -147.22 148.37 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 2.26 111.178 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.13 138.04 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 2.44 110.7 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HB ' HG12 ' A' ' 109' ' ' VAL . 3.5 mp -76.67 130.5 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.53 110.736 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 37' ' ' THR . 10.3 m-20 -113.45 124.91 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 1.51 111.309 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -80.37 -32.06 37.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.83 -0.623 . . . . 1.95 111.371 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -63.95 -37.85 88.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 3.43 111.569 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -87.37 -15.98 36.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 1.73 111.495 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.74 156.65 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 1.29 111.076 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -134.22 136.46 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 3.53 110.855 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -69.91 128.34 36.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 4.17 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.11 91.13 40.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 3.04 111.092 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.48 29.29 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.176 . . . . 2.3 112.525 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -77.27 -30.49 54.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.869 0.366 . . . . 3.07 110.898 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.23 160.65 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 3.08 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.48 114.92 63.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 4.28 110.78 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.77 125.78 17.43 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.263 1.975 . . . . 2.41 112.181 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -138.31 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 5.24 110.785 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.5 p -108.19 128.97 55.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 2.67 110.88 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.46 154.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 2.44 110.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -110.79 151.24 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 2.58 110.876 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -173.95 37.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 4.87 111.365 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.5 -29.09 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 4.17 110.727 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 76' ' ' LYS . 12.1 mm100 -92.74 -11.42 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.563 . . . . 4.62 111.359 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.533 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.68 120.44 5.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 1.97 111.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -156.65 145.55 20.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 1.9 111.374 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -93.46 164.13 13.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 1.87 110.714 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -122.62 -39.27 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 3.58 111.257 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.7 ptt180 -168.53 169.74 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 4.62 111.113 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.56 121.26 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 1.72 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 172' ' ' SER . 31.5 tp -112.4 139.66 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 2.58 110.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.8 m-20 -100.8 155.63 17.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.247 -0.433 . . . . 1.94 111.125 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -106.74 19.55 20.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 3.13 111.172 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 82.5 14.07 76.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.435 -0.888 . . . . 2.64 112.253 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -175.03 -49.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 4.34 110.603 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.83 137.68 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 2.12 110.467 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 55.4 p90 -126.04 155.49 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 3.39 111.612 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 94' ' ' HIS . 3.1 m-80 -129.27 151.49 49.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.629 -0.714 . . . . 2.57 109.976 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 17.7 m -85.85 129.65 37.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.704 0.288 . . . . 1.95 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.45 150.02 21.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 3.84 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -129.6 160.9 31.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 4.12 110.792 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.89 95.55 9.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.398 -0.365 . . . . 3.04 110.949 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 27.1 t70 -76.04 -1.26 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 3.88 110.94 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.3 p -70.82 -0.19 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 3.2 111.193 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -144.6 177.82 8.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.323 -0.398 . . . . 4.06 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -88.74 77.99 7.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.206 -0.452 . . . . 2.84 111.196 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 41.5 mtmt -64.29 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 3.26 111.335 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -138.75 141.71 38.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 1.42 111.065 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.88 144.87 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.72 111.021 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.64 139.52 48.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 2.3 110.876 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -157.43 147.72 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.995 0.426 . . . . 2.67 110.97 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.17 127.92 1.9 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.973 -0.632 . . . . 2.5 112.035 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.74 -165.56 12.06 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.588 -0.815 . . . . 2.63 112.446 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.97 9.9 3.38 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.756 2.304 . . . . 4.13 112.585 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.31 149.1 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 3.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -105.01 17.31 24.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.357 -0.383 . . . . 5.04 111.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.23 143.87 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 1.92 112.614 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -66.06 156.7 33.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 1.68 111.064 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.521 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 91.1 m-85 -114.49 125.24 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 3.43 111.304 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -103.54 145.66 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 3.79 111.198 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -104.74 143.45 33.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 2.52 110.684 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -120.89 -46.04 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.526 0.565 . . . . 2.47 112.526 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.509 ' N ' HG12 ' A' ' 91' ' ' ILE . 26.5 pt20 -157.02 165.84 35.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.894 0.378 . . . . 2.41 111.675 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 44.7 p90 -156.48 161.78 40.01 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.045 -0.525 . . . . 1.57 110.891 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.416 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 p-80 -139.95 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 1.29 110.311 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.544 ' HB3' HD23 ' A' ' 118' ' ' LEU . 30.5 p90 -121.71 144.24 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 3.19 111.452 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 243' ' ' ASN . 11.0 m80 -94.9 173.84 7.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.984 -0.553 . . . . 1.68 109.939 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.573 ' HB2' ' HA ' ' A' ' 241' ' ' VAL . 10.5 m-90 -126.72 179.97 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.811 0.339 . . . . 5.75 111.126 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.7 158.38 21.8 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.998 -0.62 . . . . 3.04 112.408 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.6 m -84.67 -24.48 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.658 0.266 . . . . 4.29 111.291 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 5.2 111.099 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -87.21 38.12 0.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.042 -0.526 . . . . 5.33 111.105 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.8 -33.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.672 -0.775 . . . . 4.18 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -153.95 169.81 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 4.67 110.779 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.59 55.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.682 -0.77 . . . . 1.95 112.803 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 t -97.01 179.3 4.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.646 0.26 . . . . 2.04 110.58 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.74 -75.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 2.64 110.693 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.61 169.6 9.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.11 110.518 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.5 p -129.87 118.4 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 1.88 110.982 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 33' ' ' ILE . 25.5 m -103.0 150.02 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 2.24 111.097 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.4 t70 52.41 39.37 27.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 2.18 110.749 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 55.66 20.8 4.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 3.37 111.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -121.63 150.14 42.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 3.86 110.554 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -120.73 143.8 48.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 2.57 111.083 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.11 176.4 5.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 2.18 110.651 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.94 -44.22 13.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.724 0.297 . . . . 1.72 111.23 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.71 166.78 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.55 110.986 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 8.8 pt-20 -152.26 148.56 27.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.809 0.338 . . . . 2.4 111.315 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.606 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 96.2 mt -86.58 148.08 25.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 2.07 110.899 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -122.36 95.35 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.162 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.53 HD23 HD23 ' A' ' 143' ' ' LEU . 54.2 tp -99.15 108.95 21.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.378 . . . . 2.51 111.242 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -92.65 130.51 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.83 110.773 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.521 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 9.4 p80 -131.79 153.41 50.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 2.43 110.945 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -133.8 134.54 42.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 3.95 110.652 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -58.1 111.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 2.19 110.704 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 t -71.94 -14.98 62.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 1.77 111.36 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -64.06 -32.02 73.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 3.65 110.632 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -90.83 7.81 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.576 . . . . 4.38 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.88 -76.49 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 2.22 112.404 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.78 168.09 20.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 3.07 110.796 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -56.55 -23.13 38.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 3.08 110.806 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.32 91.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 2.36 112.154 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -89.8 -21.12 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 3.63 110.664 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.76 -39.4 57.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.059 -0.519 . . . . 1.73 111.095 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.48 -12.44 8.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 2.3 111.085 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.31 -14.41 61.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 3.84 110.858 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -138.2 156.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 3.22 110.7 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.36 -51.03 2.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.426 2.084 . . . . 2.44 112.577 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.08 27.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.05 -0.523 . . . . 2.64 111.524 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.07 -72.35 1.13 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.753 -0.737 . . . . 1.49 112.832 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.27 141.16 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 1.76 110.805 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.44 161.65 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.98 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.6 t -120.43 130.24 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 1.3 111.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 209' ' ' ILE . 41.8 tp -93.71 127.52 39.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.177 -0.465 . . . . 2.1 110.444 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -105.99 110.28 3.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.655 -0.783 . . . . 1.4 112.689 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 47.8 mm -100.82 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.627 0.251 . . . . 1.53 111.032 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -114.74 155.21 27.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 4.48 111.027 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 118' ' ' LEU . 78.3 mt -124.94 132.54 53.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 3.25 110.982 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 4.32 110.77 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 131.7 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 3.13 111.109 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -124.85 -14.12 3.51 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.681 -0.771 . . . . 3.15 112.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.1 m 62.38 15.09 7.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.98 0.419 . . . . 3.85 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -120.74 94.26 4.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 3.82 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -56.28 116.68 13.33 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.395 -0.366 . . . . 5.19 110.829 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.81 36.31 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.298 1.999 . . . . 3.09 112.609 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.23 56.13 3.31 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.686 -0.769 . . . . 2.71 112.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.522 HD22 HG21 ' A' ' 159' ' ' VAL . 84.7 mt -120.07 28.49 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 3.94 110.686 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -52.65 -46.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.904 -0.589 . . . . 3.55 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -64.14 -35.0 79.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 4.82 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.522 HG21 HD22 ' A' ' 156' ' ' LEU . 61.0 t -61.63 -25.99 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 3.12 110.959 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.67 -31.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 3.14 111.029 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.85 -44.73 72.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 3.01 110.895 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.76 -22.15 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 2.46 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -36.51 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.567 . . . . 2.31 111.322 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.47 -12.67 4.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 2.42 110.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.3 t -82.2 -31.85 30.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 1.85 111.393 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -103.88 51.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.179 0.514 . . . . 2.44 110.903 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.486 ' HA ' HD22 ' A' ' 228' ' ' LEU . 88.4 tttt -64.17 -41.99 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 3.75 110.951 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.5 p -106.67 148.85 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 2.36 111.155 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 2.4 mptp? -80.57 148.19 30.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 3.46 111.148 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.59 -9.63 26.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.931 -0.652 . . . . 2.2 112.514 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -108.08 176.42 5.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 3.33 111.238 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' SER . . . . . 0.425 ' HB3' HD12 ' A' ' 60' ' ' LEU . 91.9 p -142.12 168.39 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.869 -0.605 . . . . 2.27 111.053 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -155.95 125.13 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 1.89 110.744 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.34 121.35 16.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 3.74 111.103 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.569 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 45.5 t80 -144.58 109.01 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 4.47 110.508 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.0 t -114.42 -178.54 3.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 4.59 110.948 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 61.68 56.82 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 6.35 111.246 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -96.3 150.21 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 4.67 110.443 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.47 78.38 11.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 3.92 111.285 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -78.59 -14.32 14.34 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.508 2.139 . . . . 4.59 112.156 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.22 -26.53 33.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 8.64 110.738 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.54 -19.86 36.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.743 . . . . 3.43 112.463 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 -13.08 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.547 0.213 . . . . 5.71 111.358 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 185' ' ' PRO . 46.2 tp -103.13 117.4 60.45 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.675 -0.239 . . . . 4.53 111.27 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.8 Cg_endo -80.04 169.27 17.94 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.483 2.122 . . . . 3.71 112.226 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.16 -43.15 61.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.582 -0.281 . . . . 6.38 111.111 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.2 t 59.09 101.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.846 0.355 . . . . 5.07 111.329 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 85.4 mt -98.99 -53.69 3.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 4.32 110.955 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 8.3 m-20 -104.93 153.08 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 3.78 110.595 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 211' ' ' LEU . 31.0 p90 -169.96 146.52 3.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.753 0.311 . . . . 3.36 111.034 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.586 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -72.57 170.24 14.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 4.16 110.248 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.2 t -147.39 166.76 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 1.5 111.572 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -162.64 75.8 2.04 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 2.91 110.637 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.73 161.16 44.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.461 2.107 . . . . 1.48 112.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 156.94 -148.62 18.65 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.664 -0.779 . . . . 1.64 112.638 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.744 0.307 . . . . 2.75 110.828 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.866 0.365 . . . . 5.02 111.115 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.48 27.33 5.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 3.98 110.425 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.91 35.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.917 -0.583 . . . . 2.48 110.735 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.06 125.31 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 1.8 111.578 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.48 149.16 33.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 1.27 110.499 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -113.93 108.41 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 2.43 110.974 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.601 ' HB ' HD12 ' A' ' 143' ' ' LEU . 7.9 mm -104.47 153.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 1.45 111.007 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 191' ' ' TRP . 3.0 p -142.2 123.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.393 . . . . 2.12 111.043 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 190' ' ' TYR . 86.8 mt -87.48 139.22 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 3.85 111.123 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.538 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 21.9 pttp -71.49 -11.87 61.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.529 . . . . 5.85 111.147 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 19.5 mm-40 -120.48 78.18 27.95 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.436 -0.347 . . . . 5.91 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.89 149.01 86.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.678 2.252 . . . . 3.58 112.114 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' ILE . . . . . 0.487 HD12 HD12 ' A' ' 118' ' ' LEU . 86.4 mt -68.95 130.28 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 4.42 110.656 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 48.2 t -81.75 142.92 32.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 3.53 111.423 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 67.2 t -142.0 140.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.636 . . . . 2.45 110.504 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 86.2 p -82.56 148.45 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.027 0.442 . . . . 3.39 111.115 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 97.6 p -65.85 -17.51 64.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.842 -0.617 . . . . 2.82 111.029 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.36 -27.96 61.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 4.51 110.75 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 3.92 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.4 -17.96 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 2.44 111.171 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.447 HD12 ' HD3' ' A' ' 226' ' ' ARG . 57.0 tp -64.67 -21.08 66.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 2.8 110.745 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -83.16 -35.57 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 3.78 110.892 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -70.21 -25.04 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 3.33 111.069 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 223' ' ' LEU . 77.0 mtp180 -61.0 -31.59 71.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 4.82 111.2 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -86.14 -15.17 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 3.25 111.38 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 167' ' ' LYS . 84.4 mt -76.73 162.1 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 2.93 111.135 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -81.54 165.84 20.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 2.92 111.123 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 231' ' ' ASN . 46.1 p90 -91.48 -4.94 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 5.3 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 230' ' ' PHE . 48.7 t-20 . . . . . 0 N--CA 1.462 0.173 0 CA-C-N 116.169 -0.469 . . . . 4.3 110.728 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.765 0.317 . . . . 5.11 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 19.2 ptp -86.52 2.59 47.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 5.21 111.205 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.8 p -66.64 144.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 3.44 111.09 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.78 38.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 3.67 110.256 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 96' ' ' HIS . 16.0 m120 -135.54 57.0 1.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 3.74 111.603 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -96.56 138.36 34.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 3.25 110.793 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.571 ' HD3' ' HD2' ' A' ' 246' ' ' PRO . 21.7 tpp180 -140.98 129.04 12.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 3.78 111.166 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.571 ' HD2' ' HD3' ' A' ' 245' ' ' ARG . 72.1 Cg_endo -75.43 166.9 27.75 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.338 2.025 . . . . 2.43 111.809 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 247' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -173.19 48.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.723 0.297 . . . . 3.18 111.65 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -57.79 130.43 82.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 5.35 110.525 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 249' ' ' PRO . . . . . 0.589 ' HA ' HG23 ' A' ' 31' ' ' VAL . 83.5 Cg_endo -81.69 123.51 4.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.449 2.099 . . . . 4.02 112.898 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 45.3 tp -80.53 -48.66 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 3.94 110.311 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.75 -52.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.514 -0.766 . . . . 6.83 110.465 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 57.69 90.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 5.02 111.233 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -76.05 -65.56 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 5.82 110.447 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.58 136.15 25.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 3.22 110.436 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.413 HG22 HG23 ' A' ' 37' ' ' THR . 15.3 tt -111.29 135.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 2.02 111.278 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.81 137.4 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 2.91 110.764 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.01 142.86 7.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.364 -0.38 . . . . 1.46 111.248 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 37.9 t -77.9 -20.5 52.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 2.32 110.225 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 91.2 t80 -111.95 147.12 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 3.3 110.559 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.148 -0.929 . . . . 4.59 111.101 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 75.8 p . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.396 0.141 . . . . 3.57 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 18.6 Cg_exo -66.04 124.97 13.35 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.487 2.125 . . . . 2.88 112.37 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.3 p -150.84 172.04 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.26 110.78 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.3 p-10 -91.94 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 2.44 110.601 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.563 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -83.79 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.53 111.099 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -111.16 129.49 55.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 1.51 111.248 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.5 m -56.77 -19.24 15.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 1.95 110.681 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -79.0 -41.11 29.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 3.43 111.41 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.53 -21.35 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 1.73 111.235 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.13 157.78 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.29 111.006 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -126.33 141.87 51.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 3.53 110.777 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -86.87 97.93 10.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 4.17 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 5.6 p-10 -129.24 111.07 18.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 3.04 110.807 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 18.1 Cg_endo -58.97 90.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.504 2.136 . . . . 2.3 112.441 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -74.92 -45.62 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 3.07 110.599 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.69 150.18 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.08 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -107.05 116.32 58.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 4.28 110.907 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.84 125.8 20.18 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.05 1.833 . . . . 2.41 111.453 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.44 -0.345 . . . . 5.24 111.028 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 40.6 t -133.29 140.6 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.67 110.83 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 79' ' ' LEU . 2.9 p -161.88 113.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 2.44 110.94 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 30.7 t -112.04 117.86 33.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 2.58 110.794 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -150.81 22.49 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.238 0.542 . . . . 4.87 110.324 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.47 -39.56 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 4.17 110.37 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.79 -8.65 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 4.62 110.636 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.32 120.45 3.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.282 -0.417 . . . . 1.97 110.8 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 178' ' ' PHE . 48.2 m -148.45 143.38 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.947 0.403 . . . . 1.9 111.369 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -96.84 155.94 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.928 -0.578 . . . . 1.87 110.497 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -111.83 -39.02 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 3.58 111.291 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.3 ptt180 -160.91 165.54 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 4.62 111.08 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 68' ' ' VAL . 6.7 tt -131.72 111.92 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 1.72 110.73 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.09 157.44 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 2.58 111.167 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' CG ' ' H ' ' A' ' 170' ' ' GLY . 12.1 p30 -126.5 157.41 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 1.94 110.778 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -106.5 22.97 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.875 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.44 14.55 65.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.274 -0.965 . . . . 2.64 112.519 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -168.29 -52.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 4.34 110.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.99 147.12 40.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.689 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 59' ' ' ILE . 40.0 p90 -120.47 139.7 52.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.252 -0.431 . . . . 3.39 111.191 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.11 153.09 48.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 2.57 110.818 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' HB ' ' A' ' 59' ' ' ILE . 3.1 m -114.99 116.59 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.95 111.267 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 37.8 tt0 -95.77 149.87 21.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.926 0.393 . . . . 3.84 111.141 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.58 159.69 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 4.12 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 16.0 t70 -83.02 98.08 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 3.04 110.793 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.44 30.64 6.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 3.88 111.144 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.7 m -60.87 -25.91 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.2 111.048 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.4 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.7 tp-100 -141.92 -68.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 4.06 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 31.5 m-20 -150.8 137.41 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 2.84 110.703 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.677 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 12.7 tppt? -158.14 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 3.26 110.805 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -141.2 123.63 15.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.42 111.037 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.07 148.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.72 111.01 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' A' ' 90' ' ' LEU . 76.0 mt -117.75 124.54 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.448 -0.342 . . . . 2.3 110.391 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 97.1 mttt -127.04 164.11 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 2.67 111.211 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.79 165.85 20.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.039 -0.601 . . . . 2.5 112.245 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.67 179.36 47.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.389 -0.91 . . . . 2.63 112.38 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.87 -36.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.622 2.215 . . . . 4.13 112.553 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -55.38 148.91 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.164 -0.471 . . . . 3.0 111.267 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.9 15.84 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 5.04 110.638 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.97 78.48 1.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 1.92 112.582 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 t -58.58 149.6 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 1.68 111.03 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -112.41 116.98 31.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.273 -0.421 . . . . 3.43 110.853 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 123' ' ' TRP . 24.9 ptt180 -102.41 135.28 44.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 3.79 110.899 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' A' ' 79' ' ' LEU . 1.4 mm? -90.82 139.35 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 2.52 110.421 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 2.47 111.553 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 13.9 pt20 -159.35 161.76 35.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.597 -0.274 . . . . 2.41 111.065 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.47 157.46 45.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 1.57 110.968 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -124.18 168.73 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.983 -0.553 . . . . 1.29 110.832 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -110.68 151.76 27.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.343 -0.39 . . . . 3.19 111.259 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -116.94 173.09 6.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.084 -0.507 . . . . 1.68 110.057 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -167.5 150.38 6.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 5.75 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 241' ' ' VAL . . . -117.69 -153.95 9.77 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.903 -0.665 . . . . 3.04 112.397 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -90.36 -26.28 20.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 4.29 110.996 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.98 150.79 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 5.2 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.06 8.01 11.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 5.33 110.728 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 -26.89 11.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 4.18 111.857 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -153.42 155.66 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 4.67 111.101 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.42 70.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 1.95 112.463 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.4 p -167.91 165.86 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 2.04 110.996 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 39.1 mt-10 -83.11 -76.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.64 110.702 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -81.87 162.82 22.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 2.11 110.586 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 32' ' ' ASP . 26.4 p -145.42 88.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 1.88 111.185 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.563 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.7 m -77.75 159.29 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 2.24 111.36 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.61 23.79 6.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 2.18 110.856 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 59.74 10.81 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 3.37 111.371 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -93.24 154.47 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 3.86 111.001 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -106.33 154.77 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 2.57 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -130.41 134.92 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.18 110.528 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.02 -44.43 11.58 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.97 0.414 . . . . 1.72 110.977 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -122.35 162.12 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 1.55 110.214 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -152.8 139.89 19.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.017 0.436 . . . . 2.4 112.096 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.713 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 53.5 mt -86.84 148.03 25.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 2.07 110.349 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.98 95.72 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.314 . . . . 1.71 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 143' ' ' LEU . 63.6 tp -98.49 139.56 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 2.51 110.38 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.56 136.26 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 1.83 111.541 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -131.97 134.11 45.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 2.43 110.531 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 2.7 m0 -130.57 120.72 24.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 3.95 110.355 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -55.42 142.91 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 2.19 111.082 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.0 t -82.09 -14.28 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.77 111.186 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -48.56 -36.28 15.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.979 -0.555 . . . . 3.65 111.841 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.433 ' C ' ' H ' ' A' ' 129' ' ' ASP . 9.9 p90 -100.03 -30.3 12.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.834 -0.346 . . . . 4.38 111.633 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.34 -22.55 0.63 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.82 -0.705 . . . . 2.22 113.336 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 127' ' ' TYR . 6.8 p-10 -141.88 147.92 37.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.994 0.397 . . . . 3.07 111.226 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.13 -21.1 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.853 -0.612 . . . . 3.08 110.866 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -39.84 98.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 2.36 112.278 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -89.86 -18.27 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 3.63 111.022 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.42 66.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 1.73 111.066 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.0 -12.45 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 2.3 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -72.32 2.2 6.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.332 . . . . 3.84 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -152.91 145.47 17.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 3.22 110.798 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.66 -16.25 42.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.694 2.263 . . . . 2.44 112.213 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.11 21.06 18.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 2.64 111.058 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.16 -80.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 1.49 112.812 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.23 135.87 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 1.76 111.018 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -114.58 165.2 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.619 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.39 130.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 1.3 111.552 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 120' ' ' LEU . 49.5 tp -86.02 143.89 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 2.1 110.682 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.07 109.78 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 1.4 112.309 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 63.1 mt -104.91 141.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 1.53 110.848 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.74 152.08 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 4.48 111.148 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' A' ' 118' ' ' LEU . 81.4 mt -129.47 134.04 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 3.25 110.667 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -114.92 134.54 55.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 4.32 110.957 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.6 148.59 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 3.13 111.047 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 106.58 51.29 0.81 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.745 -0.741 . . . . 3.15 112.735 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.1 m -129.5 131.58 46.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.657 0.265 . . . . 3.85 110.637 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.65 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.372 . . . . 3.82 111.156 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 157' ' ' GLN . 4.7 ttpm? -55.64 118.51 19.87 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 5.19 111.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.01 -21.75 9.18 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.3 2.0 . . . . 3.09 112.347 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.19 56.57 0.01 OUTLIER Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.852 -0.69 . . . . 2.71 112.596 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.478 ' HB3' HE21 ' A' ' 221' ' ' GLN . 4.5 mm? -116.28 19.31 14.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.743 0.306 . . . . 3.94 110.861 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 153' ' ' LYS . 62.3 tt0 -59.84 -21.41 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 3.55 110.961 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -56.77 -25.77 56.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 4.82 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.21 -31.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 3.12 110.809 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.96 -30.9 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 3.14 110.904 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 -38.89 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 3.01 110.629 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.9 t -69.2 -24.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.965 -0.562 . . . . 2.46 111.082 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -32.34 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 2.31 111.0 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.92 -12.63 11.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 2.42 110.869 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 49.4 m -85.37 -26.15 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 1.85 111.093 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.19 51.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.227 0.537 . . . . 2.44 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.3 -47.14 65.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 3.75 110.416 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 31.4 p -118.51 136.74 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 2.36 111.145 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -74.46 147.36 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.667 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 61' ' ' ASN . . . 111.74 -18.69 24.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.891 -0.671 . . . . 2.2 112.776 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -97.02 154.45 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 3.33 110.845 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.7 p -98.24 161.63 13.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 2.27 111.215 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.52 118.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 1.89 110.746 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -82.54 143.07 31.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.384 . . . . 3.74 111.507 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.416 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 84.8 t80 -156.52 105.04 2.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 4.47 110.481 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.9 t -118.7 -174.74 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 4.59 111.146 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 65.34 56.85 0.95 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 6.35 110.856 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' PHE . . . . . 0.549 ' H ' HG23 ' A' ' 55' ' ' THR . 64.3 t80 -99.38 136.01 39.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 4.67 110.659 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.4 92.39 11.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 3.92 111.108 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.44 -13.25 15.12 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.714 2.276 . . . . 4.59 112.646 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 70.5 ttt180 -63.16 -18.75 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 8.64 110.578 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.02 69.06 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.757 -0.735 . . . . 3.43 112.455 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.52 18.98 12.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.599 0.238 . . . . 5.71 111.162 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' A' ' 185' ' ' PRO . 52.5 tp -51.96 116.53 8.35 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.332 -0.395 . . . . 4.53 110.95 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.7 Cg_endo -77.79 165.22 26.97 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.479 2.119 . . . . 3.71 112.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.66 -23.31 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.918 -0.583 . . . . 6.38 110.883 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.7 m 55.09 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 5.07 111.182 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 20.0 tp -144.09 -79.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 4.32 110.489 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 20.0 m-20 -79.0 172.82 13.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 3.78 110.657 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -147.05 179.1 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 3.36 110.756 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.673 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 t-105 -148.14 131.11 16.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 4.16 109.939 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 9.3 t -133.9 165.89 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 1.5 111.875 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -159.4 73.56 3.34 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.971 -0.559 . . . . 2.91 110.602 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.564 ' HA ' HG23 ' A' ' 207' ' ' THR . 57.7 Cg_endo -72.34 129.32 14.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.484 2.122 . . . . 1.48 112.411 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -138.19 -145.56 4.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.786 -0.721 . . . . 1.64 112.497 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.642 0.258 . . . . 2.75 110.65 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 205' ' ' CYS . 20.4 tp . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.791 0.329 . . . . 5.02 110.694 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.92 27.09 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 3.98 110.711 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 205' ' ' CYS . . . . . 0.427 ' HB2' HD23 ' A' ' 203' ' ' LEU . 46.3 t -49.8 -34.95 21.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 2.48 111.001 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.6 123.31 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 1.8 110.693 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 194' ' ' PRO . 23.7 m -113.17 142.33 45.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 1.27 111.458 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -98.92 108.4 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 2.43 110.204 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.3 mp -104.63 151.81 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 1.45 110.817 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.36 125.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 2.12 110.906 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.86 162.23 4.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 3.85 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.514 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 14.8 ptmm? -57.68 -44.79 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.304 . . . . 5.85 110.908 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 10.7 pt-20 -139.65 130.72 14.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 5.91 110.876 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -84.67 157.0 12.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.622 2.214 . . . . 3.58 112.404 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.6 mm -80.38 142.49 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 4.42 110.652 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -98.36 138.7 35.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 3.53 111.595 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 14.2 t -116.43 154.28 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.835 -0.62 . . . . 2.45 110.319 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 84.8 p -109.84 149.89 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 3.39 110.915 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.8 t -59.71 -15.57 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 2.82 110.807 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.14 -35.66 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 4.51 110.215 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 221' ' ' GLN . . . . . 0.478 HE21 ' HB3' ' A' ' 156' ' ' LEU . 93.4 mt-30 -68.96 -24.58 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.92 110.598 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 226' ' ' ARG . 27.7 m -112.64 10.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 2.44 111.172 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.16 -42.24 80.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 2.8 110.743 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.411 ' HD2' ' HE2' ' A' ' 227' ' ' LYS . 31.2 mmmt -84.29 -14.38 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 3.78 111.054 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 225' ' ' PHE . . . . . 0.432 ' HA ' HD13 ' A' ' 228' ' ' LEU . 33.0 t80 -74.93 -32.04 61.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 3.33 111.023 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 77.1 mtm180 -62.25 -25.17 67.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 4.82 111.027 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 227' ' ' LYS . . . . . 0.411 ' HE2' ' HD2' ' A' ' 224' ' ' LYS . 66.7 mttm -70.49 -10.04 58.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 3.25 110.89 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 225' ' ' PHE . 8.0 mp -95.08 162.25 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 2.93 110.995 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.1 170.14 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 2.92 110.524 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -49.86 -47.07 51.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.866 0.365 . . . . 5.3 110.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.558 . . . . 4.3 110.655 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.656 0.265 . . . . 5.11 110.634 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -20.41 56.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 5.21 110.7 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.408 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 11.5 p -83.27 145.57 8.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 3.44 110.737 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.6 t70 179.52 -36.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.451 -0.341 . . . . 3.67 111.097 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -85.17 26.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 3.74 111.29 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -97.36 132.92 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 3.25 110.369 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.547 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 4.1 mmp_? -141.22 155.74 67.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 3.78 111.323 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.56 172.96 14.94 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 2.43 112.007 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -135.15 31.83 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 3.18 111.061 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.96 122.56 72.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 5.35 110.8 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.07 128.85 10.14 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.433 2.089 . . . . 4.02 112.382 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.748 HD23 ' H ' ' A' ' 250' ' ' LEU . 2.0 pt? -76.45 -35.68 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 3.94 110.648 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -160.06 -64.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 6.83 110.503 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -172.31 -66.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 5.02 110.664 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 61.31 146.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.118 -0.492 . . . . 5.82 111.578 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.46 145.88 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 3.22 110.613 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 14.4 tt -116.1 143.81 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 2.02 111.589 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 256' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 256' ' ' LYS . 3.5 mptp? -109.6 120.41 42.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.514 . . . . 2.91 110.587 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -138.37 162.98 33.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 1.46 110.86 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 42.5 t -70.47 -23.12 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.32 110.201 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 68.1 t80 -111.83 146.3 37.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.711 -0.677 . . . . 3.3 110.801 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.139 -0.934 . . . . 4.59 111.123 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.548 0.213 . . . . 3.57 110.82 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 128.67 31.31 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.515 2.143 . . . . 2.88 112.251 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -144.24 176.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 2.26 110.796 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 61.3 m-20 -85.55 98.6 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 2.44 110.787 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.9 mp -83.74 139.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 1.53 110.73 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.3 m-20 -113.13 129.09 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 1.51 110.888 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.8 p -72.9 -8.33 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 1.95 110.704 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -88.67 -39.46 14.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.851 -0.613 . . . . 3.43 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.537 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.1 t -76.28 -20.75 57.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.73 111.005 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.04 157.65 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 1.29 110.947 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -119.25 146.02 45.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.451 -0.34 . . . . 3.53 111.028 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 260' ' ' LYS . 38.1 p90 -76.88 132.96 39.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 4.17 110.94 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -130.29 92.45 35.75 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 3.04 111.369 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.69 12.65 2.12 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.506 2.137 . . . . 2.3 112.405 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 m -74.93 -7.57 53.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 3.07 110.959 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 258' ' ' SER . 4.6 mp -105.18 113.04 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.542 . . . . 3.08 110.662 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 37.5 mtmm -78.67 158.5 75.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 4.28 110.874 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 12.1 Cg_endo -55.4 140.36 82.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.494 2.13 . . . . 2.41 112.149 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.6 pt? -99.38 160.45 14.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 5.24 111.404 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -127.85 109.74 11.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.788 -0.642 . . . . 2.67 110.601 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 m -107.85 148.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 2.44 111.589 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -113.23 137.91 50.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.227 -0.442 . . . . 2.58 110.731 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -171.54 37.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 4.87 111.143 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.02 -19.97 46.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 4.17 110.027 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -117.07 1.82 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.675 . . . . 4.62 110.836 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -52.38 124.61 13.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.458 -0.337 . . . . 1.97 110.97 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 178' ' ' PHE . 51.7 m -152.81 144.28 23.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 1.9 111.739 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -92.46 150.02 21.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.835 -0.62 . . . . 1.87 110.346 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.65 -38.39 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 3.58 111.479 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -161.31 157.93 26.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 4.62 111.326 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.8 mt -121.21 119.3 58.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 1.72 110.744 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -108.79 153.97 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 2.58 110.519 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HG3' ' A' ' 169' ' ' LYS . 0.9 OUTLIER -95.06 153.22 17.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 1.94 111.156 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -106.69 23.18 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 3.13 111.314 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.93 11.11 84.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.472 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -179.54 -49.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 4.34 110.926 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.71 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 2.12 110.876 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' HE1' HD13 ' A' ' 228' ' ' LEU . 24.8 m-85 -120.2 133.74 55.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 3.39 110.737 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -133.32 146.84 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.689 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.91 133.04 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 1.95 111.013 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 40.3 tt0 -105.11 142.0 35.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.964 0.411 . . . . 3.84 111.327 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -117.57 147.47 42.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.796 -0.638 . . . . 4.12 110.629 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.98 101.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 3.04 110.514 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.16 0.27 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 3.88 111.126 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.1 t -58.05 -29.15 65.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 3.2 110.695 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -129.08 177.12 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.06 110.566 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.96 78.12 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 2.84 110.589 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 54' ' ' ALA . 41.3 tttt -88.23 -61.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 3.26 111.032 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -149.07 118.39 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.242 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -127.07 161.57 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.72 111.233 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 90' ' ' LEU . 1.4 mm? -119.4 120.92 38.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 2.3 110.874 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -145.54 164.57 31.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 2.67 110.936 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.68 -167.54 13.46 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.866 -0.683 . . . . 2.5 112.478 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.75 -159.84 36.76 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.775 -0.726 . . . . 2.63 112.64 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -42.06 2.05 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.534 2.156 . . . . 4.13 112.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 84' ' ' LEU . 2.6 pt? -80.73 156.42 26.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 3.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.63 10.74 39.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 5.04 111.148 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.07 126.22 7.98 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.762 -0.732 . . . . 1.92 112.527 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 t -94.02 133.53 37.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 1.68 111.253 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 83.2 m-85 -113.17 140.21 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 3.43 110.686 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -101.53 140.25 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 3.79 110.797 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 79' ' ' LEU . 4.0 pp -82.94 142.11 31.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.464 -0.335 . . . . 2.52 110.675 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.719 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.4 mp -116.38 -73.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.486 -0.325 . . . . 2.47 111.36 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.719 ' HG3' HG22 ' A' ' 91' ' ' ILE . 42.9 mt-30 -150.69 157.57 43.12 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.647 0.26 . . . . 2.41 111.013 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 27.8 p90 -138.76 148.84 44.35 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.993 0.425 . . . . 1.57 110.894 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.3 p-80 -128.08 168.19 15.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.29 110.761 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -111.29 158.25 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 3.19 111.185 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -116.7 168.96 9.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 1.68 110.735 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.485 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 62.3 t-105 -172.14 92.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 5.75 110.24 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.9 161.74 0.93 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.994 -0.622 . . . . 3.04 112.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.513 ' HB3' ' H ' ' A' ' 242' ' ' ASP . 89.1 p -72.64 -18.25 61.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 4.29 110.933 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.94 146.21 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.615 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.97 26.87 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 5.33 110.708 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.93 -44.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 4.18 112.601 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -158.81 169.8 23.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.885 0.374 . . . . 4.67 111.108 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.07 89.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.918 -0.658 . . . . 1.95 112.535 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -158.08 172.84 17.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.674 0.273 . . . . 2.04 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 245' ' ' ARG . 43.5 mt-10 -75.96 -86.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.49 -0.323 . . . . 2.64 111.391 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -70.85 169.55 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 2.11 111.213 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 43.5 m -143.78 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 1.88 110.892 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.03 153.61 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 2.24 111.305 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.8 t70 55.63 27.85 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.793 -0.64 . . . . 2.18 110.843 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm 57.83 16.22 3.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 3.37 111.369 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -118.64 127.13 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 3.86 110.541 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -94.38 155.65 16.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 2.57 110.819 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.86 153.0 23.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 2.18 110.869 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.78 23.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.355 -0.384 . . . . 1.72 111.417 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.88 152.87 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.55 110.561 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 10.6 pt-20 -152.55 137.37 17.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 2.4 111.841 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.1 mt -86.76 147.85 25.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 2.07 110.354 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -127.58 97.04 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 1.71 111.491 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 70.1 tp -93.46 123.82 37.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.404 . . . . 2.51 110.597 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.23 146.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.815 0.341 . . . . 1.83 111.389 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 69.4 m-70 -129.71 163.19 26.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 2.43 110.861 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -171.44 120.58 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 3.95 110.771 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -57.1 123.25 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 2.19 111.033 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -84.9 -15.18 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.77 111.555 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -56.38 -27.26 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 3.65 110.91 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -78.13 -28.73 48.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 4.38 110.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.11 -46.76 3.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 2.22 112.737 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.09 157.54 46.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 3.07 110.904 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 48.7 p90 -63.88 -19.61 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 3.08 111.135 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.24 -49.11 78.96 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.655 -0.784 . . . . 2.36 112.622 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -21.3 23.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 3.63 110.78 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -67.24 -41.19 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.73 111.223 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 130' ' ' PHE . 24.3 m -65.16 -9.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 2.3 111.588 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 3.84 110.747 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.632 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 29.6 tt0 -79.12 135.64 58.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 3.22 110.39 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 53.1 Cg_exo -54.8 -18.06 15.21 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.625 2.217 . . . . 2.44 112.801 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.632 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 32.3 t70 -117.61 -12.76 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.574 -0.285 . . . . 2.64 111.314 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.33 -102.69 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.944 -0.646 . . . . 1.49 112.737 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -102.58 166.99 10.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.65 0.262 . . . . 1.76 110.578 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -116.24 149.75 38.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.98 111.121 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 206' ' ' VAL . 46.6 t -122.34 111.6 31.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 1.3 111.356 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 212' ' ' LYS . 52.5 tp -88.94 108.8 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 2.1 110.686 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -88.53 110.38 3.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 1.4 112.598 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 68.1 mt -100.16 139.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.983 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -117.37 135.05 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 4.48 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 90.8 mt -101.94 140.32 36.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 3.25 111.14 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -118.92 134.99 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 4.32 110.731 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.88 147.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 3.13 110.85 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.35 141.65 12.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.813 -0.708 . . . . 3.15 112.345 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.3 t 61.25 72.44 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 3.85 110.405 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . -62.72 -169.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 3.82 111.712 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.579 ' HD3' ' HB2' ' A' ' 156' ' ' LEU . 16.7 ptpt -59.3 153.61 46.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.762 -0.654 . . . . 5.19 111.277 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.76 -12.22 35.07 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.682 2.255 . . . . 3.09 112.159 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 137.48 62.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 2.71 112.693 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.579 ' HB2' ' HD3' ' A' ' 153' ' ' LYS . 64.5 mt -121.25 27.53 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 3.94 110.626 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.64 -21.54 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.878 -0.601 . . . . 3.55 111.566 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -56.74 -32.27 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 4.82 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 41.4 t -73.06 -29.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 3.12 111.05 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 225' ' ' PHE . 58.6 t -64.67 -20.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 3.14 111.072 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.95 -19.94 31.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 3.01 110.984 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.27 -57.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 2.46 111.414 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 2.31 110.955 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.482 ' HA ' ' HD3' ' A' ' 167' ' ' LYS . 17.4 t70 -49.6 -19.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.807 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.4 t -88.24 -43.56 11.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.85 110.735 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.0 pt -93.81 50.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 2.44 111.361 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 164' ' ' ASP . 32.6 mmmt -59.54 -48.85 80.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 3.75 110.993 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 75.3 p -70.37 143.79 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 2.36 111.002 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.63 148.18 30.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 3.46 110.98 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.79 -26.5 10.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.014 -0.612 . . . . 2.2 112.365 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -104.46 176.48 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 3.33 110.808 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.5 p -149.51 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.943 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -125.65 135.03 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.568 . . . . 1.89 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.85 117.51 29.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.457 -0.338 . . . . 3.74 111.018 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.17 111.9 10.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 4.47 110.649 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.6 t -109.22 177.74 4.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 4.59 110.939 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 60.11 57.2 3.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 6.35 110.959 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' PHE . . . . . 0.608 ' H ' HG23 ' A' ' 55' ' ' THR . 53.6 t80 -88.6 136.16 33.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.572 . . . . 4.67 110.556 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ASP . . . . . 0.602 ' HB3' ' HG2' ' A' ' 181' ' ' ARG . 12.3 m-20 -68.59 111.13 7.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.351 -0.386 . . . . 3.92 111.032 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.7 -10.29 28.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.575 2.183 . . . . 4.59 112.262 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ARG . . . . . 0.602 ' HG2' ' HB3' ' A' ' 179' ' ' ASP . 15.6 ptp180 -70.31 -28.31 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 8.64 110.632 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -68.02 -9.44 56.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 3.43 112.277 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.24 -13.89 19.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 5.71 110.745 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 181' ' ' ARG . 90.4 mt -56.1 125.98 65.68 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 4.53 110.906 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.97 140.01 19.87 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.469 2.113 . . . . 3.71 112.458 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.74 -22.17 56.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 6.38 110.804 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 79.9 p -157.06 150.53 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 5.07 110.834 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.03 126.35 52.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.299 -0.409 . . . . 4.32 110.689 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.598 ' HB3' HD23 ' A' ' 211' ' ' LEU . 8.4 m-20 -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 3.78 110.871 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 258' ' ' SER . 63.1 m-85 -142.58 143.14 32.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.375 . . . . 3.36 110.619 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.63 ' HB2' HD22 ' A' ' 211' ' ' LEU . 10.0 t-105 -172.25 120.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 4.16 110.598 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 5.7 t -119.35 147.92 43.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 1.5 110.802 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -167.45 86.72 0.77 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.14 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 207' ' ' THR . 52.8 Cg_endo -69.6 128.35 16.04 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.32 2.014 . . . . 1.48 112.004 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.73 -160.98 10.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.496 -0.859 . . . . 1.64 112.858 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 2.75 110.516 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' H ' ' A' ' 204' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.326 . . . . 5.02 110.779 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' GLU . . . . . 0.607 ' H ' HD13 ' A' ' 203' ' ' LEU . 34.0 tt0 -77.91 84.71 4.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 3.98 110.773 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.62 24.14 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.53 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 206' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 142' ' ' VAL . 8.2 t -116.43 113.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.8 111.194 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 194' ' ' PRO . 32.7 m -113.19 149.08 34.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.27 111.036 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -106.18 114.77 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 2.43 111.063 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.5 HG21 ' HE2' ' A' ' 212' ' ' LYS . 3.5 mp -126.3 136.7 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 1.45 110.384 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 211' ' ' LEU . 2.4 t -136.32 168.44 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 2.12 111.36 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 191' ' ' TRP . 11.0 mp 67.68 9.52 7.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.911 -0.586 . . . . 3.85 111.346 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 143' ' ' LEU . 24.0 ttmm -82.5 -43.5 17.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 5.85 110.532 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 77.38 4.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 5.91 110.37 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 159.5 27.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.888 2.392 . . . . 3.58 112.426 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 48.7 mm -124.9 137.62 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 4.42 110.868 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 25.4 t -100.93 114.4 28.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 3.53 111.296 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.49 141.22 18.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.164 -0.471 . . . . 2.45 110.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 152' ' ' ALA . 40.7 t -106.06 148.24 28.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.865 0.364 . . . . 3.39 110.992 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 222' ' ' VAL . 90.7 p -80.22 -18.4 49.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 2.82 111.243 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.69 -25.83 37.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 4.51 110.669 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -88.04 -24.8 23.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 3.92 111.297 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 30.1 m -102.14 24.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.381 . . . . 2.44 111.195 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.43 -37.17 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 2.8 110.722 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.91 -14.81 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 3.78 110.771 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 225' ' ' PHE . . . . . 0.595 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 87.5 t80 -80.05 -35.47 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 3.33 111.02 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 222' ' ' VAL . 36.0 mmt180 -73.92 -0.07 14.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 4.82 111.347 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 227' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 227' ' ' LYS . 9.6 mtpm? -72.76 -7.96 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.434 -0.348 . . . . 3.25 111.384 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 240' ' ' MET . 3.7 pp -54.12 162.23 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 2.93 111.363 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.13 166.87 21.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.039 -0.528 . . . . 2.92 111.402 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.429 ' H ' ' HD1' ' A' ' 230' ' ' PHE . 4.7 p90 -100.41 -0.95 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.964 -0.562 . . . . 5.3 110.953 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 . . . . . 0 CA--C 1.53 0.196 0 CA-C-N 116.295 -0.411 . . . . 4.3 110.681 -179.304 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.707 0.289 . . . . 5.11 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 240' ' ' MET . 0.0 OUTLIER -53.87 130.95 38.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 5.21 110.768 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 22.8 m -144.38 -175.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 3.44 111.46 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 99' ' ' SER . 46.3 m-20 68.44 41.7 1.73 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 3.67 110.97 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.485 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 30.9 m-20 -118.44 29.71 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.58 . . . . 3.74 110.702 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 244' ' ' TRP . . . . . 0.433 ' HD1' ' H ' ' A' ' 99' ' ' SER . 64.8 p-90 -103.5 159.79 15.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 3.25 110.895 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 18.5 tpt180 -141.03 141.63 24.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 3.78 110.92 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.426 ' HD2' ' HG3' ' A' ' 245' ' ' ARG . 46.6 Cg_exo -56.69 172.4 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.263 1.975 . . . . 2.43 112.116 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.07 45.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 3.18 111.13 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -55.19 135.41 68.53 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 5.35 110.838 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.99 124.52 9.67 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.418 2.079 . . . . 4.02 112.558 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 64.9 tp -79.94 -31.89 40.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 3.94 110.856 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 66.07 13.44 9.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.695 -0.684 . . . . 6.83 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -147.7 171.45 15.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.327 -0.397 . . . . 5.02 111.214 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 66.78 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.789 -0.641 . . . . 5.82 111.491 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -106.36 166.05 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 3.22 110.619 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.8 mp -106.94 144.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.34 -0.391 . . . . 2.02 110.645 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -116.18 91.73 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 2.91 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.94 169.78 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 1.46 111.072 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.523 ' HB2' HD22 ' A' ' 44' ' ' LEU . 41.9 t -77.2 -15.43 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 2.32 110.483 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -111.69 147.67 35.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.629 . . . . 3.3 110.599 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 260' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 40' ' ' TYR . 68.6 mttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.252 -0.88 . . . . 4.59 111.255 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.552 0.215 . . . . 3.57 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.84 125.28 5.98 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.651 2.234 . . . . 2.88 112.228 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.7 p -137.04 176.5 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.254 -0.43 . . . . 2.26 110.604 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.635 ' H ' HG22 ' A' ' 31' ' ' VAL . 35.4 m-20 -89.52 98.61 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 2.44 110.662 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -82.7 140.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.53 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.5 m-20 -108.73 129.42 55.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 1.51 110.662 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -67.3 -10.06 47.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.95 110.634 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -90.43 -40.85 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.65 . . . . 3.43 110.969 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.9 t -74.06 -21.79 59.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 1.73 110.969 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.08 129.82 43.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 1.29 110.897 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.21 151.54 23.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 3.53 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 260' ' ' LYS . 38.4 p90 -90.49 131.79 36.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 4.17 110.785 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.03 100.32 19.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 3.04 111.113 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.79 21.88 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.45 2.1 . . . . 2.3 112.749 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -68.49 -45.51 72.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.458 -0.337 . . . . 3.07 110.732 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.9 mm? -110.17 96.4 6.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 3.08 110.617 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -108.48 149.72 39.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 4.28 111.212 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.88 126.49 18.99 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.332 2.022 . . . . 2.41 111.665 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.9 tp -139.79 -62.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 5.24 111.576 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -129.9 120.31 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 2.67 111.37 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.72 135.82 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 2.44 110.778 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.513 ' HB2' HG12 ' A' ' 78' ' ' VAL . 51.1 m -113.41 144.11 43.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 2.58 110.952 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -175.04 34.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.991 -0.549 . . . . 4.87 110.919 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -89.76 -25.41 21.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 4.17 110.21 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -101.08 -3.91 28.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 4.62 110.679 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -50.53 120.22 4.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.345 -0.389 . . . . 1.97 110.741 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.0 m -159.85 144.05 14.67 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.345 . . . . 1.9 111.538 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -87.14 163.6 16.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 1.87 110.412 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -123.23 -39.33 2.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.608 -0.269 . . . . 3.58 111.681 -179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 60' ' ' LEU . 40.9 ttp180 -173.37 152.2 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.871 0.367 . . . . 4.62 111.385 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.442 HG12 HG12 ' A' ' 68' ' ' VAL . 35.9 mt -112.72 104.43 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 1.72 110.631 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 58' ' ' ARG . 2.9 mm? -99.87 153.31 19.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 2.58 111.153 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.99 161.44 20.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 1.94 110.522 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -106.55 23.68 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.683 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 14.34 73.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.31 -0.948 . . . . 2.64 112.002 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.07 -55.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.711 0.291 . . . . 4.34 110.776 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.89 163.48 16.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.245 -0.434 . . . . 2.12 110.804 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -120.34 133.47 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 3.39 111.193 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -133.67 153.26 51.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.103 -0.499 . . . . 2.57 110.652 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 59' ' ' ILE . 3.6 m -115.58 108.65 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.95 111.442 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.94 145.31 27.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 3.84 111.166 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.36 172.15 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 4.12 110.882 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.03 107.77 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 3.04 111.056 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -107.3 3.43 25.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 3.88 110.648 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 -44.28 83.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.039 -0.528 . . . . 3.2 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -127.42 -166.16 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 4.06 110.88 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -58.49 138.92 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 2.84 110.867 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 7.1 ttpm? -142.58 -76.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 3.26 111.13 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -156.54 122.39 4.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 1.42 111.332 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 50' ' ' SER . 11.5 p -117.42 152.05 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 1.72 110.855 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -133.89 132.61 40.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 2.3 111.361 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HB3' HG22 ' A' ' 87' ' ' THR . 14.8 ptmm? -159.38 150.6 19.94 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.312 -0.404 . . . . 2.67 110.559 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.63 156.35 26.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.582 -0.818 . . . . 2.5 112.754 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.9 -158.28 6.53 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.748 -0.739 . . . . 2.63 112.628 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.12 2.1 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.481 2.12 . . . . 4.13 112.16 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 112.82 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 3.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.42 -15.37 37.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 5.04 110.778 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.91 83.67 1.52 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.902 -0.666 . . . . 1.92 112.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 80' ' ' LYS . 40.1 p -68.25 156.07 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.68 111.404 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.98 128.62 46.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 3.43 110.722 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -103.32 153.88 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 3.79 111.157 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.8 mp -90.0 122.72 33.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.289 -0.414 . . . . 2.52 110.342 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -98.86 -70.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.549 -0.296 . . . . 2.47 111.411 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.17 169.67 23.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.599 -0.273 . . . . 2.41 111.012 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 37.7 p90 -158.14 162.3 37.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 1.57 111.268 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.544 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.9 p-80 -135.86 163.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 1.29 110.48 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -111.41 145.6 38.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.866 0.365 . . . . 3.19 111.574 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -104.07 160.73 14.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.051 -0.522 . . . . 1.68 110.204 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.427 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 97.2 m95 -144.15 89.9 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 5.75 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -52.47 164.08 1.7 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.026 -0.607 . . . . 3.04 112.677 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 44.0 t -82.83 -28.73 29.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 4.29 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.1 137.97 31.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 5.2 110.919 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.45 20.54 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 5.33 110.668 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.01 -40.4 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.824 -0.703 . . . . 4.18 112.369 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -166.43 172.05 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 4.67 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 1.95 112.451 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.6 p -152.18 147.81 26.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 2.04 110.989 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.4 124.88 24.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 2.64 110.732 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 60.92 173.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 2.11 110.885 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.1 t -164.68 120.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 1.88 111.315 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 34.5 m -102.92 159.3 4.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.411 . . . . 2.24 111.68 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 t70 56.15 30.72 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.664 . . . . 2.18 111.016 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 55.61 24.85 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 3.37 111.401 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -126.19 116.93 22.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 3.86 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -102.99 152.35 21.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 2.57 110.962 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.14 164.79 11.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.18 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.0 -14.26 58.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.089 -0.505 . . . . 1.72 111.536 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.408 ' HB3' HD21 ' A' ' 147' ' ' LEU . . . -163.81 169.47 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 1.55 111.309 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 145' ' ' ILE . 39.4 tt0 -152.69 147.8 26.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 2.4 110.79 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 148.12 23.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 2.07 110.93 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.544 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.8 m170 -107.2 108.92 20.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 1.71 111.285 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 3.0 mp -102.4 143.64 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.734 0.302 . . . . 2.51 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.0 140.71 34.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 1.83 111.496 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 15.2 m-70 -127.31 156.83 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 2.43 110.261 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.51 ' HE1' ' HB2' ' A' ' 133' ' ' ALA . 27.8 t90 -165.03 134.76 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.084 0.469 . . . . 3.95 111.153 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.401 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 60.4 t30 -78.68 128.18 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 2.19 110.76 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.1 t -73.44 -15.02 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.77 111.804 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 54.1 tptt -54.91 -25.44 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 3.65 111.201 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' A' ' 129' ' ' ASP . 95.2 m-85 -85.95 -30.03 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 4.38 111.194 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.13 -24.6 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 2.22 112.75 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.2 m-20 -142.33 163.58 32.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.882 0.372 . . . . 3.07 111.221 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -23.23 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 3.08 110.998 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.05 -27.61 72.78 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.602 -0.809 . . . . 2.36 112.367 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -90.06 -32.7 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 3.63 110.738 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HE1' ' A' ' 123' ' ' TRP . . . -62.74 -42.57 99.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.73 111.148 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.71 -13.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.923 -0.58 . . . . 2.3 111.629 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.26 -10.37 59.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 3.84 110.734 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.645 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 33.3 tt0 -135.3 130.97 19.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 3.22 110.669 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 37.4 Cg_exo -61.2 -24.09 78.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.603 2.202 . . . . 2.44 112.189 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.645 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 6.2 m-20 -100.34 10.77 40.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 2.64 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.77 -55.33 31.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 1.49 112.858 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -126.96 155.76 42.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 1.76 110.634 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.2 165.26 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 0.98 111.281 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 209' ' ' ILE . 60.0 t -125.16 108.26 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 1.3 110.753 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.545 HD23 HD22 ' A' ' 120' ' ' LEU . 61.6 tp -85.47 141.61 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 2.1 111.322 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.87 128.57 5.71 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.815 -0.629 . . . . 1.4 112.25 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 51.3 mt -130.55 140.67 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.3 . . . . 1.53 111.044 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.74 175.98 7.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 4.48 110.753 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 116' ' ' ALA . 96.0 mt -56.69 176.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 3.25 111.104 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -128.07 143.39 51.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 4.32 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.03 122.56 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 3.13 110.782 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 218' ' ' SER . . . -53.97 107.22 0.6 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.041 -0.6 . . . . 3.15 113.008 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.1 p -172.22 42.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.767 0.318 . . . . 3.85 111.21 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 217' ' ' VAL . . . -84.86 -164.87 1.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.409 -0.36 . . . . 3.82 111.073 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.69 155.97 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 5.19 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -78.24 -2.63 12.69 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.45 2.1 . . . . 3.09 111.867 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -122.73 29.05 5.52 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.878 -0.677 . . . . 2.71 112.615 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 221' ' ' GLN . 19.1 tp -72.67 6.96 2.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 3.94 110.946 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -53.69 -22.72 9.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 3.55 110.959 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 162' ' ' VAL . 45.5 mtmt -54.24 -36.33 63.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.515 . . . . 4.82 111.022 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 36.6 t -84.5 -28.56 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 3.12 111.333 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.38 -28.63 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.049 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -85.07 -27.86 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 3.01 110.876 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 158' ' ' LYS . 96.1 t -60.5 -43.83 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.221 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -30.43 71.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 2.31 111.09 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.53 -12.48 22.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 2.42 110.642 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.9 t -86.4 -30.89 21.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 1.85 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.9 mp -108.67 51.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 2.44 110.735 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -50.95 -41.96 59.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 3.75 110.625 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.7 p -128.15 148.88 50.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 2.36 111.081 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.7 OUTLIER -65.73 148.14 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 3.46 111.14 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.6 -20.89 19.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.961 -0.637 . . . . 2.2 112.435 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -93.71 175.73 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 3.33 110.807 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 79.7 p -126.59 163.07 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 2.27 111.031 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -163.0 124.55 2.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 1.89 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.508 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 7.9 m-20 -69.07 143.03 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 3.74 111.089 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.41 ' HB3' HG13 ' A' ' 59' ' ' ILE . 70.2 t80 -156.05 108.42 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 4.47 110.645 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 12.9 t -130.66 -177.37 4.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 4.59 110.95 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 57.5 t30 60.03 50.32 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 6.35 111.09 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -112.58 142.15 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 4.67 110.688 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -143.15 91.75 6.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 3.92 111.292 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.76 -48.45 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.279 1.986 . . . . 4.59 112.31 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.02 -7.32 49.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 8.64 111.093 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.55 29.93 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.786 -0.721 . . . . 3.43 112.577 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.59 -20.27 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.658 0.266 . . . . 5.71 111.004 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 90.8 mt -73.8 137.36 76.76 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.47 -0.332 . . . . 4.53 110.809 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 25.3 Cg_exo -62.58 132.78 39.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.46 2.107 . . . . 3.71 112.406 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.98 -20.32 42.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.465 . . . . 6.38 111.135 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.0 m -107.09 89.83 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 5.07 111.026 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.453 HD22 ' HZ2' ' A' ' 212' ' ' LYS . 11.3 mt -154.07 169.37 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 4.32 111.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.606 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 12.3 m-20 -76.11 167.34 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 3.78 110.594 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -142.1 175.61 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 3.36 110.886 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.555 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.2 m-90 -140.71 140.57 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 4.16 110.07 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.5 t -138.26 163.82 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.5 111.559 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -159.88 87.13 1.99 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 2.91 110.635 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.517 ' HA ' HG23 ' A' ' 207' ' ' THR . 53.5 Cg_exo -53.67 129.55 34.49 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.485 2.123 . . . . 1.48 112.422 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 162.84 -157.0 28.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.861 -0.685 . . . . 1.64 112.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 2.75 110.84 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.703 0.287 . . . . 5.02 110.73 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.21 17.67 6.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.373 0.606 . . . . 3.98 109.837 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 79.3 m -93.08 19.45 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.378 -0.828 . . . . 2.48 110.74 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.39 115.31 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 1.8 111.512 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 194' ' ' PRO . 35.3 m -112.97 140.81 47.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 1.27 110.268 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -91.23 108.69 20.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.84 0.352 . . . . 2.43 110.979 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 142' ' ' VAL . 0.3 OUTLIER -101.62 160.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 1.45 110.539 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 43.8 t -133.41 103.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.12 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.13 162.09 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 3.85 110.594 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.453 ' HZ2' HD22 ' A' ' 188' ' ' LEU . 22.6 tptm -62.41 -55.15 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 5.85 110.995 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.16 149.99 26.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 5.91 110.87 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.73 170.17 20.94 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.632 2.221 . . . . 3.58 112.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 215' ' ' ILE . 4.5 mp -73.52 134.85 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.247 -0.433 . . . . 4.42 110.665 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 78.7 p -68.29 104.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 3.53 111.421 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.515 ' HA ' ' HB2' ' A' ' 152' ' ' ALA . 57.9 t -133.24 136.69 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 2.45 110.59 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.491 ' HB2' ' HG2' ' A' ' 221' ' ' GLN . 74.0 m -73.06 147.84 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 3.39 110.926 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.3 p -80.98 -22.49 39.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 2.82 111.583 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.94 -26.66 57.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 4.51 111.029 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 156' ' ' LEU . 24.5 mm-40 -75.93 -26.47 56.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 3.92 110.834 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 27.1 m -96.59 -3.29 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 2.44 111.224 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 223' ' ' LEU . 0.4 OUTLIER -56.23 -40.59 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 2.8 110.09 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -76.03 -23.48 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 3.78 110.376 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -69.05 -23.27 64.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 3.33 110.8 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -77.02 -10.87 59.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 4.82 111.162 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -74.53 -5.66 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 3.25 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.39 162.44 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 2.93 110.989 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -110.89 147.0 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 2.92 110.787 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -52.05 -40.61 61.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 5.3 110.292 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 4.3 110.854 179.26 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.579 0.228 . . . . 5.11 110.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 52.7 ttp -67.96 80.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 5.21 110.714 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 29.8 m -141.73 -171.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.901 -0.59 . . . . 3.44 111.185 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 99' ' ' SER . 13.5 t70 73.29 48.19 0.17 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.031 -0.532 . . . . 3.67 110.957 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.595 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 37.6 m-80 -129.81 37.13 3.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.74 110.923 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -105.47 155.46 19.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 3.25 110.84 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 35.7 mmt180 -139.27 131.55 15.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 3.78 111.368 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 15.5 Cg_exo -68.33 173.09 10.15 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.557 2.171 . . . . 2.43 111.877 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.76 41.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.376 . . . . 3.18 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.21 145.2 57.64 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.465 . . . . 5.35 110.87 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -83.24 123.62 3.53 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.448 2.098 . . . . 4.02 112.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.03 -49.1 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 3.94 110.846 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -173.13 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 6.83 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -151.5 170.32 19.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 5.02 110.844 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -169.85 138.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 5.82 111.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -104.03 119.5 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 3.22 110.54 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 255' ' ' ILE . 4.1 mp -109.11 123.84 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.395 -0.366 . . . . 2.02 111.189 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -97.97 100.8 12.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 2.91 110.737 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -113.29 168.62 9.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.425 . . . . 1.46 111.311 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 30.1 t -69.48 -37.16 77.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 2.32 110.432 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 87.5 t80 -112.01 144.45 41.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 3.3 110.902 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 260' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' TYR . 15.3 ptpt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.143 -0.932 . . . . 4.59 111.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.481 0.182 . . . . 3.57 110.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HB2' ' O ' ' A' ' 246' ' ' PRO . 43.1 Cg_exo -56.51 129.31 34.02 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.461 2.107 . . . . 2.88 112.154 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 32' ' ' ASP . 20.2 t -120.44 165.65 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.157 -0.474 . . . . 2.26 110.631 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' HG12 ' A' ' 31' ' ' VAL . 18.8 t70 -86.6 98.64 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 2.44 110.856 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.602 ' HB ' HG12 ' A' ' 109' ' ' VAL . 2.5 mp -83.17 142.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.53 110.88 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB2' HG22 ' A' ' 37' ' ' THR . 11.8 m-20 -113.11 129.45 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 1.51 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -69.47 -8.91 51.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 1.95 111.236 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -89.96 -40.86 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 3.43 110.997 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -74.12 -17.08 60.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.303 -0.408 . . . . 1.73 110.978 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 157.53 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.886 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -133.12 147.93 52.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.864 0.364 . . . . 3.53 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 84.2 t80 -74.54 98.87 3.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.536 . . . . 4.17 110.644 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 102.76 49.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 3.04 111.023 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.84 20.69 0.86 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.383 2.055 . . . . 2.3 112.394 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 44' ' ' LEU . 92.2 p -59.48 -45.88 90.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.398 -0.365 . . . . 3.07 110.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' C ' ' A' ' 43' ' ' SER . 4.6 mm? -119.18 99.11 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 3.08 110.541 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.15 147.51 35.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 4.28 110.47 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.16 125.65 19.6 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.182 1.922 . . . . 2.41 111.563 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.0 tp -117.25 -57.68 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.501 -0.318 . . . . 5.24 110.982 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.9 p -135.31 142.03 45.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.432 -0.349 . . . . 2.67 111.221 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -151.87 114.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.037 -0.529 . . . . 2.44 111.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -109.26 146.57 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 2.58 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -176.3 34.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 4.87 110.781 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -91.97 -21.92 20.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 4.17 110.861 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -108.59 -0.52 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 4.62 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.83 120.71 6.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 1.97 110.966 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -146.25 143.37 29.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.962 0.41 . . . . 1.9 111.717 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.1 p -99.75 165.05 11.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.956 -0.565 . . . . 1.87 110.572 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 71' ' ' ASP . 4.2 mm? -111.29 -39.42 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 3.58 111.649 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -178.06 167.81 2.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 4.62 111.43 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 tt -124.83 123.61 66.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.624 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -113.22 150.56 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 2.58 111.178 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.558 ' ND2' HG21 ' A' ' 166' ' ' ILE . 19.8 m-80 -116.92 148.84 41.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.015 -0.538 . . . . 1.94 110.495 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -106.84 23.27 14.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.501 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.95 14.4 62.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.313 -0.946 . . . . 2.64 112.45 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 56.1 t60 -176.05 -61.78 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.747 0.308 . . . . 4.34 110.893 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.6 149.48 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 2.12 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -123.68 135.14 53.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 3.39 111.142 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -130.24 148.43 52.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 2.57 110.717 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -96.48 145.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.95 110.785 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.626 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 43.1 tt0 -120.34 117.42 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 3.84 111.064 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.89 171.21 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 4.12 110.571 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' HD21 ' A' ' 57' ' ' LEU . 22.6 t70 -72.88 122.2 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 3.04 110.636 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.94 -11.78 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 3.88 110.711 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.5 t -64.26 -24.15 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 3.2 111.058 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -152.6 154.09 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 4.06 110.769 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.95 121.98 31.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.252 -0.431 . . . . 2.84 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 4.1 mptp? -94.79 -76.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 3.26 111.087 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.74 135.27 36.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 1.42 111.213 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.14 156.0 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 1.72 110.748 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.93 155.73 46.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 2.3 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -159.37 140.46 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.819 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.44 176.96 50.14 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.803 -0.713 . . . . 2.5 112.385 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.12 -77.39 0.18 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.543 -0.837 . . . . 2.63 112.417 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.28 -7.31 17.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.458 2.106 . . . . 4.13 112.11 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . 28.7 tp -83.45 115.59 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 3.0 110.754 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -102.16 49.78 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.057 0.456 . . . . 5.04 110.731 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.7 85.71 0.23 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.906 -0.664 . . . . 1.92 112.422 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -55.68 152.66 9.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.653 0.263 . . . . 1.68 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 81.8 m-85 -125.12 131.38 53.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 3.43 111.33 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -103.77 129.84 51.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 3.79 110.792 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 pt? -84.15 142.32 30.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.649 0.261 . . . . 2.52 110.361 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.651 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.1 mp -111.84 -71.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 111.896 0.332 . . . . 2.47 111.896 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 91' ' ' ILE . 49.2 mt-30 -149.16 166.7 28.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.573 0.225 . . . . 2.41 111.054 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -158.3 154.74 27.62 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.237 0.541 . . . . 1.57 111.81 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 4.5 p-80 -129.78 169.87 14.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.36 -0.836 . . . . 1.29 110.098 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -109.91 138.06 46.82 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.032 0.444 . . . . 3.19 112.063 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -95.2 164.05 13.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.798 -0.637 . . . . 1.68 109.631 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -142.8 145.17 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 5.75 111.248 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -118.4 161.88 13.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.23 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 t -68.9 -30.83 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 4.29 110.817 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.77 141.41 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 5.2 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.49 5.33 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 5.33 111.089 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.68 -15.65 4.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.471 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 113' ' ' LYS . 21.8 pt20 -164.58 164.9 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 4.67 111.112 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.33 85.2 0.55 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.899 -0.667 . . . . 1.95 112.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 35.0 t -155.18 -79.55 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.67 0.271 . . . . 2.04 111.053 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.666 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 47.6 mt-10 -148.26 -99.9 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.425 -0.352 . . . . 2.64 111.85 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.97 176.33 2.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.94 0.4 . . . . 2.11 111.579 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 113' ' ' LYS . 95.9 m -141.79 86.06 1.97 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.941 -0.572 . . . . 1.88 110.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' HB ' ' A' ' 33' ' ' ILE . 19.8 m -89.32 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 2.24 111.165 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.87 35.39 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 2.18 110.592 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.9 mttp 58.82 14.64 3.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.015 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -124.3 116.46 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 3.86 110.623 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.534 ' N ' HG23 ' A' ' 108' ' ' THR . 40.1 ttmt -71.67 144.65 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 2.57 111.303 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 105' ' ' SER . 69.6 m-85 -70.0 137.7 51.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 2.18 109.987 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.96 -25.2 37.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 1.72 111.287 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.5 145.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 1.55 110.603 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -143.96 155.22 43.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 2.4 111.085 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 5.4 mt -99.61 140.52 33.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 2.07 110.943 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.99 94.97 8.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 1.71 109.891 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 90' ' ' LEU . 41.2 tp -107.41 103.38 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 2.51 110.714 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.09 115.35 32.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 1.83 111.019 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.572 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 7.7 p80 -131.6 143.56 50.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.983 -0.553 . . . . 2.43 110.264 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -147.57 171.7 15.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.398 . . . . 3.95 111.275 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.45 HD22 ' HE2' ' A' ' 126' ' ' LYS . 2.3 m-20 -54.33 112.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 2.19 110.814 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -78.92 -15.02 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.77 111.631 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HE2' HD22 ' A' ' 124' ' ' ASN . 56.7 pttt -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 3.65 111.036 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.428 ' HB3' ' HB2' ' A' ' 132' ' ' LYS . 56.0 m-85 -81.9 -29.13 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 4.38 110.849 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.95 56.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 2.22 112.347 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.93 143.8 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 3.07 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 134' ' ' VAL . 52.0 p90 -75.02 -28.8 60.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 3.08 110.663 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.31 -22.28 70.95 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 2.36 112.052 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 127' ' ' TYR . 46.6 mmtm -90.5 -38.57 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 3.63 110.72 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 1.73 111.83 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 130' ' ' PHE . 16.2 m -70.63 2.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 2.3 111.824 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.22 -13.77 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 3.84 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -90.44 155.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.008 -0.542 . . . . 3.22 110.505 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.04 -16.39 32.57 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.53 2.153 . . . . 2.44 112.135 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -115.26 -12.68 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 2.64 110.838 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.17 -95.27 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.04 -0.6 . . . . 1.49 112.52 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.43 163.38 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.656 0.265 . . . . 1.76 110.355 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 209' ' ' ILE . . . -122.74 164.91 17.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.923 0.392 . . . . 0.98 111.529 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.62 145.06 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 1.3 110.499 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 74.0 mt -104.44 144.12 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 2.1 111.061 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -98.98 116.49 5.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 1.4 112.367 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 211' ' ' LEU . 32.5 mm -124.2 144.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.398 0.142 . . . . 1.53 111.093 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.4 t80 79.84 -61.25 0.3 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.735 0.647 . . . . 4.48 110.65 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.8 mt 55.93 -88.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 3.25 111.994 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.39 158.45 21.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.692 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.9 153.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 3.13 111.089 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.58 141.64 4.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 3.15 112.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.6 m 58.51 75.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 3.85 110.715 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 217' ' ' VAL . . . -61.03 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.058 -0.519 . . . . 3.82 111.684 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 19.4 pttm -56.38 136.06 76.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 5.19 111.362 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 7.9 Cg_exo -73.1 11.15 0.97 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.688 2.259 . . . . 3.09 111.94 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.16 64.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.067 -0.587 . . . . 2.71 112.11 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 159' ' ' VAL . 80.9 mt -129.36 26.68 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.94 110.923 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -54.67 -21.42 10.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 3.55 111.368 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -58.07 -33.1 68.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 4.82 111.112 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 156' ' ' LEU . 5.9 p -65.88 -25.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.369 -0.378 . . . . 3.12 110.866 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.75 -26.35 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 3.14 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.97 -54.75 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 3.01 110.467 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.91 -27.07 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 2.46 110.807 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -32.34 71.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 2.31 110.939 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.65 -12.55 4.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 2.42 110.784 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -69.92 -7.05 37.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.125 -0.489 . . . . 1.85 111.04 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.558 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -125.05 51.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 2.44 110.551 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.444 ' HD2' HD13 ' A' ' 228' ' ' LEU . 58.8 tptt -50.52 -42.29 54.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.973 -0.558 . . . . 3.75 110.648 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 73.0 p -105.27 144.88 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 2.36 110.74 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -79.68 143.45 34.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.961 0.41 . . . . 3.46 111.026 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -10.02 26.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.958 -0.639 . . . . 2.2 112.694 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -95.51 175.83 6.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.785 0.326 . . . . 3.33 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 83.9 p -122.88 165.94 15.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.514 . . . . 2.27 110.993 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.21 148.87 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 1.89 110.885 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.61 148.42 25.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 3.74 111.079 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -156.25 105.43 2.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 4.47 110.955 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.7 t -123.75 -179.96 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 4.59 110.863 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 61.2 56.83 2.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.183 -0.462 . . . . 6.35 110.983 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.95 146.56 54.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 4.67 110.626 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.76 113.15 54.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 3.92 110.971 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.12 -9.93 17.85 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.073 . . . . 4.59 112.7 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -74.46 -14.47 60.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.371 . . . . 8.64 110.756 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -83.95 -3.78 88.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.651 -0.785 . . . . 3.43 112.343 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 79.6 mt -114.59 11.92 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.587 0.232 . . . . 5.71 111.027 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.7 137.97 77.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 4.53 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.57 129.95 8.62 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.514 2.143 . . . . 3.71 112.269 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -79.54 -32.5 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 6.38 110.981 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 36.2 t -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 5.07 111.057 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.6 mt -91.38 46.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 4.32 111.001 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 13.2 m-20 -147.72 160.88 42.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 3.78 110.751 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.6 175.98 5.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 3.36 110.617 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.596 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.4 m-90 -118.27 164.77 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 4.16 110.481 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 257' ' ' ALA . 11.8 t -138.48 169.22 18.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.85 0.357 . . . . 1.5 111.335 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -154.45 87.72 3.46 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 2.91 110.683 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.636 ' HA ' HG23 ' A' ' 207' ' ' THR . 38.1 Cg_endo -65.4 127.96 19.29 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.494 2.129 . . . . 1.48 112.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -163.45 -138.48 2.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.825 -0.702 . . . . 1.64 112.257 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 204' ' ' GLU . 83.4 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.546 0.213 . . . . 2.75 110.557 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 203' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.216 0.531 . . . . 5.02 111.423 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 204' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 196' ' ' SER . 30.0 tt0 -101.85 23.61 11.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.524 0.678 . . . . 3.98 109.246 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 87.1 m -86.32 30.33 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.006 -0.997 . . . . 2.48 111.138 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.74 110.52 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 1.8 111.098 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 194' ' ' PRO . 47.3 m -113.12 143.57 44.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 1.27 111.327 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -111.65 115.28 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.708 HD13 ' HB1' ' A' ' 141' ' ' ALA . 2.6 mp -101.99 142.32 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 1.45 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 191' ' ' TRP . 11.1 m -125.95 132.47 70.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 2.12 111.221 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 145' ' ' ILE . 91.5 mt -68.99 165.4 20.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 3.85 111.335 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -74.28 -55.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 5.85 111.34 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.17 75.33 11.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 5.91 110.875 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.17 173.59 14.26 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.578 2.185 . . . . 3.58 112.362 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 7.1 tp -66.39 133.72 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 4.42 111.093 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 80.3 p -137.1 172.92 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 3.53 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 152' ' ' ALA . 46.7 t -127.31 137.85 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 2.45 111.042 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 43.2 t -71.42 148.07 47.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.17 -0.468 . . . . 3.39 111.057 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.8 m -68.73 -15.36 63.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 2.82 111.064 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.21 -40.54 90.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.918 0.39 . . . . 4.51 110.508 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -76.98 -17.47 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 3.92 110.715 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 51.6 t -79.58 -22.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 2.44 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.08 -33.21 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 2.8 110.748 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.25 -30.93 25.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.932 -0.577 . . . . 3.78 111.161 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -70.03 -15.75 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 3.33 110.814 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -67.08 -15.11 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 4.82 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -69.13 -28.52 66.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 3.25 110.799 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 167' ' ' LYS . 3.9 mm? -63.64 158.02 22.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 2.93 110.74 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -88.13 144.41 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 2.92 110.82 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 46.8 p90 -95.8 3.42 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 5.3 111.163 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 54.9 t30 . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 4.3 111.119 -179.603 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.84 0.352 . . . . 5.11 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.428 ' HE3' ' HB2' ' A' ' 240' ' ' MET . 58.2 mtm -82.11 41.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 5.21 111.385 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.06 132.98 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 3.44 110.967 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.2 t70 179.51 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 3.67 110.63 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -88.71 38.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 3.74 111.547 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 244' ' ' TRP . . . . . 0.453 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 63.3 p-90 -97.26 149.52 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 3.25 110.389 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.666 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 31.5 mtp180 -140.74 146.05 42.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 3.78 111.201 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 30' ' ' PRO . 95.0 Cg_endo -85.37 171.79 8.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.711 2.274 . . . . 2.43 111.751 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 247' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' PRO . . . -166.91 45.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 3.18 111.121 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -55.7 140.43 67.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 5.35 110.94 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.65 126.06 7.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.373 2.049 . . . . 4.02 112.455 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 60.8 tp -77.56 -48.74 16.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 3.94 110.593 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -165.73 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 6.83 110.835 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -173.98 163.36 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.02 111.16 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -175.42 149.06 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 5.82 110.499 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -102.3 125.25 48.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.036 0.446 . . . . 3.22 110.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 33' ' ' ILE . 1.1 pp -116.42 145.84 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 2.02 111.397 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -91.66 156.91 17.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 2.91 110.668 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.621 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -163.87 147.66 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.46 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.3 t -63.46 -22.21 66.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.095 0.474 . . . . 2.32 110.092 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 85.1 t80 -112.01 161.45 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.56 -0.746 . . . . 3.3 110.293 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 260' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 67.1 mttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.134 -0.936 . . . . 4.59 111.251 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.669 0.271 . . . . 3.57 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.84 126.99 9.8 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.716 2.277 . . . . 2.88 112.193 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 32' ' ' ASP . 35.0 t -127.53 158.89 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.26 -0.427 . . . . 2.26 110.571 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HA ' HG23 ' A' ' 108' ' ' THR . 7.1 m-20 -92.03 98.78 11.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.375 . . . . 2.44 110.259 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 255' ' ' ILE . 3.7 mp -86.49 129.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.17 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -113.21 128.81 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 1.51 111.009 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -62.1 -20.85 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.95 111.19 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -82.97 -39.38 21.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 3.43 110.959 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 p -74.25 -14.97 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 1.73 110.866 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.97 151.26 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 1.29 110.645 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -146.15 149.89 34.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 3.53 111.074 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -62.05 135.57 57.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 4.17 111.006 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -122.72 95.29 46.68 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.412 . . . . 3.04 110.877 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.71 40.05 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.708 2.272 . . . . 2.3 112.653 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.91 -45.48 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 3.07 110.977 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.4 tp -169.06 95.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 3.08 110.659 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -89.52 155.17 48.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 4.28 110.597 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.41 160.52 13.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.363 2.042 . . . . 2.41 111.838 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 tp -94.97 -65.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 5.24 110.717 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -136.16 151.71 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 2.67 110.965 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.61 113.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 2.44 111.475 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' HG12 ' A' ' 78' ' ' VAL . 21.3 t -113.73 147.43 38.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 2.58 110.655 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -171.49 34.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 4.87 111.083 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -88.51 -23.32 23.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 4.17 110.194 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.09 -2.88 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.583 -0.735 . . . . 4.62 110.555 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.27 120.57 4.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.059 -0.519 . . . . 1.97 111.256 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 178' ' ' PHE . 89.5 m -142.74 143.86 32.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.174 -0.466 . . . . 1.9 111.191 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -92.13 157.22 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.87 110.524 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -128.01 -39.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.385 . . . . 3.58 111.812 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -150.52 153.06 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 4.62 111.403 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.6 mt -132.09 104.69 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.05 -0.523 . . . . 1.72 110.805 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -113.12 153.04 28.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 2.58 110.958 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -96.75 157.51 15.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.86 0.362 . . . . 1.94 111.02 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -106.52 23.49 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 3.13 111.429 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.25 81.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.373 -0.918 . . . . 2.64 112.342 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -161.88 -57.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 4.34 110.619 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.93 168.66 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 2.12 110.504 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -120.27 133.91 55.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.929 0.395 . . . . 3.39 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.86 152.4 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 2.57 110.848 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.45 147.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.95 110.785 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -129.06 163.37 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 3.84 110.999 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.65 167.47 10.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 4.12 111.216 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.99 122.7 18.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 3.04 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.99 -10.55 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 3.88 110.731 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -56.72 -35.83 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 3.2 110.959 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -168.01 172.52 8.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 4.06 111.178 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.3 124.23 31.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 2.84 110.814 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 71.4 mmtt -90.46 -79.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 3.26 111.398 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.53 136.55 33.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.501 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 14.9 p -110.85 148.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 1.72 110.876 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -143.26 117.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 2.3 111.18 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -134.35 152.61 51.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.221 -0.445 . . . . 2.67 110.304 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.86 95.96 0.77 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.484 -0.865 . . . . 2.5 112.886 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.14 -147.85 40.09 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.507 -0.854 . . . . 2.63 112.459 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.81 30.6 0.44 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.596 2.197 . . . . 4.13 112.604 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.74 117.98 12.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 3.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 5.04 111.055 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.14 44.96 3.4 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.589 -0.815 . . . . 1.92 112.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -67.72 152.15 46.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 1.68 111.199 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -150.4 142.1 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 3.43 110.063 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HG3' ' HA ' ' A' ' 78' ' ' VAL . 3.7 mpt_? -96.84 111.63 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.991 0.425 . . . . 3.79 111.389 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 122' ' ' HIS . 20.8 tp -128.42 143.47 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 2.52 110.623 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 tp -160.03 92.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.294 0.569 . . . . 2.47 111.464 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -154.03 132.92 12.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.338 -0.846 . . . . 2.41 110.074 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -154.2 160.78 42.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.57 111.719 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.7 p-80 -123.03 167.99 12.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.39 154.4 27.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.024 0.44 . . . . 3.19 111.946 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -116.07 168.59 9.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.738 -0.665 . . . . 1.68 110.334 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -175.51 88.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 5.75 110.433 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 244' ' ' TRP . . . -58.95 179.61 1.48 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.85 -0.69 . . . . 3.04 112.873 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.9 m -70.63 -17.93 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.715 0.293 . . . . 4.29 111.108 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.57 139.85 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 5.2 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -97.75 -4.78 36.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 5.33 111.053 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.09 -45.95 2.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 4.18 112.118 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 11.6 pt20 -172.11 149.59 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 4.67 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 1.95 112.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -90.28 156.18 18.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.529 0.204 . . . . 2.04 110.467 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -54.83 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 2.64 110.822 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -87.61 176.02 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 2.11 110.592 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.5 t -141.6 99.16 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 1.88 111.251 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 33' ' ' ILE . 20.0 m -89.15 158.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 2.24 111.019 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.5 t70 53.42 28.1 7.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 2.18 110.831 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mttp 63.64 1.2 1.0 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 3.37 111.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -106.71 149.46 27.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 3.86 110.996 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 113' ' ' LYS . 4.4 ttmp? -111.09 150.02 29.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 2.57 110.783 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -108.44 168.05 9.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 2.18 110.923 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -84.06 -51.92 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 1.72 111.127 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.16 167.24 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.55 111.064 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HA ' ' H ' ' A' ' 147' ' ' LEU . 12.3 pt-20 -152.63 142.2 21.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 2.4 111.364 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 145' ' ' ILE . 2.9 pp -92.22 148.01 22.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.221 -0.445 . . . . 2.07 110.363 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -120.54 108.65 14.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 1.71 111.619 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.5 tt -105.56 118.69 37.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 2.51 110.109 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.8 t -95.61 147.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 1.83 111.468 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.658 ' HA ' HD23 ' A' ' 90' ' ' LEU . 83.1 t60 -131.87 148.91 52.57 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.149 -0.478 . . . . 2.43 111.147 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 14.0 p90 -163.79 151.74 12.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 3.95 110.9 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -83.55 150.92 25.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 2.19 111.244 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 t -82.61 -15.07 53.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 1.77 111.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -63.04 -25.45 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 3.65 110.618 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -85.38 -13.73 48.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 4.38 110.727 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.1 -33.67 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 2.22 112.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -170.74 170.54 6.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.07 111.072 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -65.92 -20.9 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 3.08 110.982 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.57 96.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 2.36 112.526 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -86.35 -23.05 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.005 0.431 . . . . 3.63 110.444 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.27 69.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 1.73 111.002 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.18 -14.94 11.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.143 -0.481 . . . . 2.3 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.68 7.04 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 3.84 111.178 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -130.83 155.09 81.9 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 3.22 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.97 -51.53 4.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.303 2.002 . . . . 2.44 112.006 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -111.81 26.48 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 2.64 110.879 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.91 -51.77 47.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 1.49 112.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.84 158.52 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 1.76 110.76 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.27 159.38 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.98 111.138 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.9 t -119.35 109.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.3 111.057 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.527 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 3.5 mm? -86.8 107.91 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 2.1 110.738 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -101.6 117.79 5.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 1.4 112.328 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.594 HD12 HD11 ' A' ' 118' ' ' LEU . 86.5 mt -113.9 138.08 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.902 0.382 . . . . 1.53 111.362 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -105.74 115.21 29.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.012 -0.54 . . . . 4.48 110.982 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.485 HD21 HD23 ' A' ' 118' ' ' LEU . 94.3 mt -64.91 151.16 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 3.25 110.947 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 216' ' ' SER . 23.0 pttp -112.91 134.67 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 4.32 110.524 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.58 144.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 3.13 111.213 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.72 170.35 12.72 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.827 -0.701 . . . . 3.15 112.495 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.9 m 60.11 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.898 0.38 . . . . 3.85 110.928 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.4 ' HA ' ' OG ' ' A' ' 218' ' ' SER . . . -62.18 179.43 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.946 -0.57 . . . . 3.82 111.624 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.2 115.75 22.15 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.015 -0.539 . . . . 5.19 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.41 -6.81 15.73 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.406 2.071 . . . . 3.09 112.077 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.39 65.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.237 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 159' ' ' VAL . 17.3 tp -121.48 25.9 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 3.94 110.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.33 -21.41 49.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 3.55 110.985 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -52.14 -47.84 65.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 4.82 111.731 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.494 HG12 ' HG ' ' A' ' 156' ' ' LEU . 13.2 p -75.89 -25.05 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 3.12 111.403 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.8 -25.8 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.035 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.33 -44.15 53.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 3.01 110.736 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.62 -21.32 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.181 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -45.29 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 2.31 111.011 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.76 -16.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 2.42 110.71 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.2 t -83.89 -39.83 19.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.993 -0.549 . . . . 1.85 110.798 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.67 37.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 2.44 111.162 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -58.8 -48.88 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 3.75 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 67.7 p -95.81 148.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 2.36 111.01 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 3.9 mptp? -61.38 143.73 55.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 3.46 110.909 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -15.21 25.4 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.95 -0.643 . . . . 2.2 112.153 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -98.27 173.46 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 3.33 110.92 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.7 p -157.25 165.07 36.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 2.27 110.796 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.82 130.37 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.89 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -78.9 140.61 38.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 3.74 111.015 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -155.33 105.06 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 4.47 110.587 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 5.2 t -109.75 179.27 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 4.59 110.885 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.4 m120 60.9 57.0 2.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.909 0.385 . . . . 6.35 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' PHE . . . . . 0.657 ' H ' HG23 ' A' ' 55' ' ' THR . 76.7 t80 -82.07 146.75 29.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 4.67 110.481 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -115.75 84.93 13.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 3.92 111.123 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.55 -18.93 66.15 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.433 2.089 . . . . 4.59 111.992 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ARG . . . . . 0.483 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 87.1 mtm180 -75.24 -35.11 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 8.64 110.463 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -61.19 -22.63 61.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.596 -0.812 . . . . 3.43 111.924 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 72.1 mt -118.78 1.27 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 5.71 110.839 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 32.3 tp -62.89 116.68 25.92 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 4.53 111.08 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.37 141.46 14.26 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.377 2.051 . . . . 3.71 112.405 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.32 -7.9 52.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 6.38 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 149.6 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 5.07 110.737 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 189' ' ' ASP . 3.4 tt -149.21 127.93 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 4.32 110.816 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.508 ' N ' HD23 ' A' ' 188' ' ' LEU . 4.5 p30 -170.51 144.33 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 3.78 110.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -144.92 141.11 28.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 3.36 111.296 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 209' ' ' ILE . 35.7 m0 -119.43 170.21 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 4.16 110.563 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.591 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 7.0 t -145.86 153.1 40.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 1.5 111.477 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' TYR . . . . . 0.427 ' HD1' ' HG2' ' A' ' 256' ' ' LYS . 92.8 t80 -172.3 126.95 0.55 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.085 -0.507 . . . . 2.91 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.13 127.71 20.94 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.175 1.917 . . . . 1.48 111.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -96.16 156.22 21.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.64 112.929 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--N 1.332 -0.18 0 N-CA-C 110.267 -0.272 . . . . 2.75 110.267 179.664 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 5.02 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.49 34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 3.98 111.22 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 40.7 t -85.05 -8.82 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.194 0.521 . . . . 2.48 110.187 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.16 115.12 31.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 1.8 110.912 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.493 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 16.8 m -90.95 142.09 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 1.27 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -116.78 114.71 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.447 . . . . 2.43 111.699 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.527 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 2.9 mp -102.24 146.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 1.45 109.946 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 16.9 m -130.36 136.9 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.065 0.46 . . . . 2.12 112.2 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 211' ' ' LEU . 3.4 mm? 59.04 39.58 23.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.646 -0.706 . . . . 3.85 111.187 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.1 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.379 . . . . 5.85 110.534 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -164.69 83.04 1.22 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.22 -0.446 . . . . 5.91 110.88 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.53 151.16 64.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.617 2.212 . . . . 3.58 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.66 147.94 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.06 -0.518 . . . . 4.42 110.686 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' SER . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 148' ' ' LYS . 39.2 t -83.47 107.13 15.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 3.53 111.313 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 147' ' ' LEU . 26.5 m -144.69 144.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 2.45 110.404 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 222' ' ' VAL . 84.7 p -116.42 158.59 23.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 3.39 111.488 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 78.3 p -56.19 -27.99 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 2.82 110.595 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.55 -36.28 82.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 4.51 109.96 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -77.11 -27.09 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 3.92 110.053 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 218' ' ' SER . 14.3 t -76.35 -13.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.44 110.467 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.5 tp -62.79 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.6 . . . . 2.8 110.834 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.48 ' HD2' ' H ' ' A' ' 224' ' ' LYS . 1.2 mptp? -85.68 -33.14 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 3.78 110.983 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -75.53 -25.86 57.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 3.33 111.358 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.427 ' HD2' HD12 ' A' ' 223' ' ' LEU . 11.3 ptp180 -81.26 -5.85 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 4.82 110.89 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 227' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 97.5 mttt -69.96 -28.61 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 3.25 110.794 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.48 162.01 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.048 -0.524 . . . . 2.93 110.781 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -100.89 157.45 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 2.92 110.854 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.76 -6.06 7.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 5.3 110.643 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 4.3 110.57 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.74 0.305 . . . . 5.11 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 44.8 ttm -65.75 99.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 5.21 110.83 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 242' ' ' ASP . 16.8 m -142.55 178.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 3.44 111.442 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 241' ' ' VAL . 12.8 m-20 67.72 28.19 7.33 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.9 -0.591 . . . . 3.67 110.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.51 23.45 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 3.74 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 244' ' ' TRP . . . . . 0.495 ' HB3' ' HA3' ' A' ' 98' ' ' GLY . 14.8 p-90 -106.26 170.73 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 3.25 110.618 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -136.88 156.62 75.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 3.78 110.719 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 172.44 1.74 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.328 2.019 . . . . 2.43 112.277 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -155.35 32.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.12 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.11 110.14 2.44 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.108 -0.497 . . . . 5.35 111.224 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.37 127.09 18.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.489 2.126 . . . . 4.02 112.104 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 250' ' ' LEU . 2.9 mm? -78.1 -48.79 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 3.94 110.604 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -170.41 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 6.83 110.73 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -165.03 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 5.02 110.762 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 61.87 151.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.053 -0.522 . . . . 5.82 111.588 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -105.52 135.23 47.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 3.22 110.533 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.602 HG21 HG23 ' A' ' 33' ' ' ILE . 8.4 tp -116.07 142.34 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 2.02 111.348 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 256' ' ' LYS . . . . . 0.427 ' HG2' ' HD1' ' A' ' 193' ' ' TYR . 21.0 ptmt -112.2 168.48 9.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 2.91 110.18 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.591 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.47 152.15 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.46 111.488 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.537 ' N ' HG22 ' A' ' 192' ' ' THR . 37.8 t -73.51 -22.02 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.763 -0.653 . . . . 2.32 109.992 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -112.19 142.58 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 3.3 110.51 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.262 -0.875 . . . . 4.59 111.081 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.455 0.169 . . . . 3.57 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.02 126.47 21.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.585 2.19 . . . . 2.88 112.291 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.4 m -137.02 177.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.17 -0.468 . . . . 2.26 110.958 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.54 98.59 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 2.44 110.756 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.9 mp -88.57 132.39 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.53 111.054 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 7.1 m-20 -112.82 129.25 56.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 1.51 111.07 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -80.08 -45.15 18.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 1.95 110.914 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -65.38 -31.49 72.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 3.43 110.551 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 34' ' ' ASP . 27.7 m -86.23 -22.28 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 1.73 111.214 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.13 157.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 1.29 111.214 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -123.14 134.51 54.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 3.53 111.07 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -77.25 131.49 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 4.17 110.834 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -130.09 90.96 40.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 3.04 110.991 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.19 32.1 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.648 2.232 . . . . 2.3 112.334 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -68.98 -20.75 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 3.07 111.366 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.0 tp -154.23 112.19 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 3.08 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.03 144.72 29.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 4.28 110.901 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 45.4 Cg_exo -57.26 130.0 37.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.554 2.169 . . . . 2.41 111.913 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.24 -68.2 0.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.404 -0.362 . . . . 5.24 111.426 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 m -135.87 151.94 50.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 2.67 111.409 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.28 123.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.423 . . . . 2.44 111.383 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.3 t -113.39 150.78 32.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 2.58 110.725 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -168.9 39.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.063 0.459 . . . . 4.87 110.999 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -92.78 -39.54 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 4.17 110.5 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -80.38 -14.48 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 4.62 110.727 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.554 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.58 120.5 7.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 1.97 111.0 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -157.93 148.78 20.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 1.9 111.124 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 175' ' ' PHE . 63.0 m -81.89 151.19 27.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 1.87 110.64 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HH11 ' A' ' 58' ' ' ARG . 31.8 tp -110.61 -39.25 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 3.58 111.318 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.552 HH11 ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -172.13 161.71 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 4.62 110.764 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.1 mt -128.99 104.01 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 1.72 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.21 143.76 43.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 2.58 110.996 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 66' ' ' PHE . 1.8 m-20 -105.7 162.67 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 1.94 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -106.33 23.51 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 3.13 111.439 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.79 9.14 82.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 2.64 112.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -151.67 -57.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 4.34 110.468 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.89 153.81 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 2.12 110.514 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 28.6 p90 -120.84 133.84 55.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 3.39 111.534 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -132.63 150.22 52.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 2.57 110.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.85 111.9 37.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 1.95 111.215 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.02 143.8 26.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 3.84 110.925 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.407 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . 22.5 m-85 -103.58 149.34 24.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 4.12 110.767 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 27.0 t70 -58.8 105.3 0.3 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.546 . . . . 3.04 111.55 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.95 34.63 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 3.88 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -60.31 -43.63 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 3.2 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -143.23 -74.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 4.06 111.093 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.92 164.92 33.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 2.84 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 30.9 mtmm -143.7 -83.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 3.26 111.417 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.79 144.73 51.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 1.42 111.171 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.425 ' HB ' ' OG1' ' A' ' 87' ' ' THR . 19.6 m -138.36 132.43 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.669 . . . . 1.72 110.659 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tt -128.93 123.0 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 2.3 111.053 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -123.88 148.4 46.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 2.67 110.66 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -119.62 84.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.821 -0.704 . . . . 2.5 112.544 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.92 -173.23 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.841 -0.695 . . . . 2.63 112.323 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.94 2.3 5.57 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.034 . . . . 4.13 112.075 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.73 152.18 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 3.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -105.7 12.18 31.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 5.04 110.734 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.12 62.69 0.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 1.92 112.444 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.425 ' OG1' ' HB ' ' A' ' 78' ' ' VAL . 9.8 t -67.1 144.3 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 1.68 111.021 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -91.18 136.25 33.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 3.43 111.012 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -102.42 141.21 35.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 3.79 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 120' ' ' LEU . 6.5 mp -84.34 141.81 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 2.52 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -117.31 -68.98 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 111.935 0.346 . . . . 2.47 111.935 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -159.18 169.3 24.45 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.627 0.251 . . . . 2.41 111.339 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 54.1 p90 -152.0 162.48 41.02 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.88 0.371 . . . . 1.57 110.981 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.438 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.7 p-80 -131.0 168.9 16.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 1.29 110.892 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -110.8 157.76 19.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.94 0.4 . . . . 3.19 111.583 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.59 173.82 7.18 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.865 -0.607 . . . . 1.68 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -157.9 133.92 9.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 5.75 110.632 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.55 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -76.76 157.07 46.91 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.868 -0.682 . . . . 3.04 112.627 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t -79.3 -17.51 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 4.29 110.777 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 tp -87.52 152.58 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.316 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -87.22 21.6 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 5.33 110.812 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.69 -49.25 0.11 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.846 -0.693 . . . . 4.18 112.642 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -169.93 173.52 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.821 0.343 . . . . 4.67 111.126 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.79 80.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 1.95 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.9 t -95.15 -75.49 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.665 0.269 . . . . 2.04 110.932 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 245' ' ' ARG . 32.5 tt0 -175.8 -76.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 2.64 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -80.56 173.23 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 2.11 110.672 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 m -133.74 79.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.389 . . . . 1.88 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.488 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.8 m -81.98 147.55 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 2.24 111.183 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 51.21 39.64 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 2.18 110.82 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 56.22 25.15 8.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 3.37 111.548 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -135.74 155.49 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.402 . . . . 3.86 111.332 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -123.34 152.77 41.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.55 . . . . 2.57 110.525 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.41 170.7 7.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 2.18 111.058 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.44 43.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.346 -0.388 . . . . 1.72 111.302 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.96 169.37 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.55 110.81 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -152.78 138.69 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.733 0.301 . . . . 2.4 111.265 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 147' ' ' LEU . 4.0 pp -86.74 143.91 27.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 2.07 110.456 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.438 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -109.42 97.22 6.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 1.71 111.176 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.598 HD21 HD23 ' A' ' 90' ' ' LEU . 58.2 tp -105.84 122.61 46.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 2.51 111.037 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.95 123.59 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 1.83 110.841 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -128.08 107.21 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 2.43 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -111.49 159.18 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 3.95 110.978 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.02 128.05 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 2.19 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -63.03 -14.91 53.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 1.77 111.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.53 -28.88 69.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 3.65 110.701 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HB3' ' HB3' ' A' ' 132' ' ' LYS . 59.8 m-85 -93.21 -28.96 15.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 4.38 110.852 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.91 -6.17 35.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.846 -0.693 . . . . 2.22 112.593 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -168.9 158.77 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 3.07 110.922 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -73.02 -19.51 61.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.982 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.95 95.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 2.36 112.453 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 127' ' ' TYR . 87.5 tttt -85.57 -21.26 28.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 3.63 110.507 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.45 ' O ' ' HA2' ' A' ' 139' ' ' GLY . . . -70.24 -53.62 16.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.948 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.3 m -53.28 -16.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.024 -0.535 . . . . 2.3 111.658 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.05 13.55 1.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 3.84 110.599 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -131.62 153.42 81.52 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.842 -0.617 . . . . 3.22 110.46 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.71 -17.63 50.85 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.592 2.195 . . . . 2.44 112.449 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.28 -13.21 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 2.64 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 133' ' ' ALA . . . 42.6 -123.91 3.78 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 116.035 -0.529 . . . . 1.49 112.737 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 167.66 17.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 1.76 110.647 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -113.69 132.88 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.98 111.059 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 132.42 61.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.356 . . . . 1.3 111.372 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 211' ' ' LEU . 13.9 tp -86.87 144.12 27.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 2.1 110.542 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 210' ' ' VAL . . . -121.13 112.97 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.617 -0.802 . . . . 1.4 112.818 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.412 HG12 HD12 ' A' ' 211' ' ' LEU . 71.9 mt -130.41 107.31 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 1.53 110.984 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -69.13 160.53 30.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 4.48 110.796 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 118' ' ' LEU . 98.8 mt -138.76 111.75 7.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 3.25 110.971 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -112.52 147.23 37.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 4.32 110.77 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.27 155.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 3.13 111.466 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 83.32 76.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.854 -0.689 . . . . 3.15 112.73 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -165.6 37.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 3.85 110.852 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 61.79 155.46 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.047 -0.524 . . . . 3.82 111.211 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 4.6 ttmp? -89.98 132.65 35.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 5.19 110.5 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.436 ' HG2' ' HG ' ' A' ' 156' ' ' LEU . 91.0 Cg_endo -80.98 25.84 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.405 2.07 . . . . 3.09 112.474 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.12 44.05 8.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 2.71 112.653 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.436 ' HG ' ' HG2' ' A' ' 154' ' ' PRO . 79.4 mt -104.43 18.72 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 3.94 110.702 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.74 -21.9 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 3.55 110.796 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.01 -35.04 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.958 -0.565 . . . . 4.82 110.933 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -24.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.12 110.627 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' A' ' 224' ' ' LYS . 98.2 t -65.4 -32.35 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 3.14 110.683 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.11 -51.19 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 110.516 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.0 -17.9 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 2.46 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -51.98 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 2.31 111.068 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.61 -12.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 2.42 111.103 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.9 t -86.35 -38.05 17.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 1.85 110.836 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 13.3 pt -91.42 42.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 2.44 111.049 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.85 -40.19 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 3.75 110.752 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 134.18 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.36 111.323 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.539 ' HE3' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.65 145.75 31.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 3.46 110.998 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 93.07 3.84 65.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.874 -0.679 . . . . 2.2 113.041 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -109.39 149.86 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 3.33 110.932 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.3 p -97.26 165.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 2.27 111.243 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.63 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 1.89 111.117 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.93 155.79 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 3.74 110.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 50.7 p90 -61.44 136.35 58.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 4.47 110.943 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.9 t -143.83 -172.51 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 4.59 110.773 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 5.6 t30 60.07 56.81 3.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 6.35 111.08 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -93.09 142.35 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 4.67 110.574 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.52 91.0 32.41 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 3.92 111.337 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.64 -38.7 23.6 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.38 2.053 . . . . 4.59 111.757 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.08 -19.24 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 8.64 110.679 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.55 2.68 29.38 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 3.43 112.572 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.09 14.26 2.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.719 0.295 . . . . 5.71 110.753 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.21 151.21 27.89 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.445 . . . . 4.53 110.955 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -52.09 131.94 41.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.584 2.19 . . . . 3.71 112.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.81 -7.13 59.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 6.38 110.94 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 21.7 p 60.14 175.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.923 -0.58 . . . . 5.07 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.36 58.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 4.32 110.95 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -147.85 126.95 12.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.525 . . . . 3.78 110.869 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' A' ' 259' ' ' PHE . 43.5 p90 -168.66 158.01 8.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.395 -0.366 . . . . 3.36 110.689 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.717 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.0 m-90 -97.94 153.76 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 4.16 110.571 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.525 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -155.87 145.27 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 1.5 111.401 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -144.08 112.03 5.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 2.91 110.569 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.488 ' HA ' HG22 ' A' ' 207' ' ' THR . 50.3 Cg_exo -53.49 149.02 32.11 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.54 2.16 . . . . 1.48 112.688 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -143.69 -141.97 3.88 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.852 -0.689 . . . . 1.64 112.387 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 203' ' ' LEU . 80.7 p . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.765 0.317 . . . . 2.75 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 196' ' ' SER . 80.9 mt . . . . . 0 N--CA 1.46 0.057 0 CA-C-O 120.853 0.358 . . . . 5.02 111.313 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 16.87 3.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 3.98 110.538 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 78.6 m -58.35 -17.45 20.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 2.48 110.988 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 45.9 t -123.97 122.65 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.8 111.155 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 194' ' ' PRO . 33.6 p -112.86 149.39 33.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 1.27 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -94.26 119.92 33.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.848 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.8 mp -115.03 140.56 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 1.45 110.72 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.494 HG12 ' HA3' ' A' ' 144' ' ' GLY . 11.0 m -137.22 119.81 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 2.12 111.452 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 143' ' ' LEU . 85.0 mt -62.22 152.44 33.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.615 . . . . 3.85 111.038 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -81.12 -13.41 58.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 5.85 111.324 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.74 85.79 17.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 5.91 110.869 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.82 141.9 17.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.621 2.214 . . . . 3.58 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 49.9 mm -72.37 146.98 10.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 4.42 110.865 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 t -127.26 127.74 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 3.53 111.132 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.22 169.54 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 2.45 110.942 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 37.1 t -103.59 148.1 26.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 3.39 110.799 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 48.4 t -60.2 -26.59 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 2.82 110.624 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -85.16 -20.35 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 4.51 110.69 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.97 -44.71 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 3.92 110.678 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.04 -15.55 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 2.44 110.924 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 62.7 tp -50.85 -45.05 59.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 2.8 111.242 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 0.5 OUTLIER -66.2 -29.97 70.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.349 . . . . 3.78 110.915 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.33 -26.94 62.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 3.33 110.873 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -70.53 -16.1 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 4.82 110.741 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -80.16 -30.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 3.25 111.203 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.11 162.3 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 2.93 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -99.32 147.14 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 2.92 111.127 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.434 ' C ' ' HG2' ' A' ' 169' ' ' LYS . 80.2 m-85 -104.3 3.86 33.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 5.3 111.117 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 4.3 111.365 -179.085 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.72 0.295 . . . . 5.11 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 21.4 ptm 32.3 45.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.568 -0.742 . . . . 5.21 111.902 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 31.3 m -78.42 171.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.779 -0.646 . . . . 3.44 111.296 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 62.24 31.63 17.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 3.67 110.874 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.03 43.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 3.74 110.937 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 244' ' ' TRP . . . . . 0.55 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 48.7 p-90 -136.3 161.75 34.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.183 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.483 ' HB3' ' HG3' ' A' ' 106' ' ' GLU . 14.5 tpt180 -141.0 131.08 13.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.769 -0.65 . . . . 3.78 110.765 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.14 153.17 79.13 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.407 2.072 . . . . 2.43 112.252 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -106.21 156.54 18.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.402 -0.363 . . . . 3.18 111.24 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 155.16 75.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 5.35 110.801 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 137.91 36.32 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.435 2.09 . . . . 4.02 112.198 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.25 -43.56 92.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.869 -0.605 . . . . 3.94 110.662 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 62.14 5.99 1.66 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.697 -0.683 . . . . 6.83 111.475 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -104.24 -29.08 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 5.02 110.526 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 69.52 0.62 3.01 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.658 -0.701 . . . . 5.82 111.544 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -144.12 117.35 8.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.808 0.337 . . . . 3.22 111.252 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 33' ' ' ILE . 7.9 tp -115.57 138.98 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 2.02 110.496 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 256' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' A' ' 256' ' ' LYS . 0.0 OUTLIER -97.14 160.35 14.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 2.91 110.929 -179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.717 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -158.62 168.22 27.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 1.46 110.813 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.6 t -78.29 -39.16 40.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.194 -0.457 . . . . 2.32 110.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.563 ' HB2' ' H ' ' A' ' 190' ' ' TYR . 90.7 m-85 -140.63 135.52 31.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.579 . . . . 3.3 111.038 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 4.59 111.137 -179.76 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.645 0.259 . . . . 3.57 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 246' ' ' PRO . 18.8 Cg_endo -58.72 125.2 17.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.544 2.163 . . . . 2.88 112.169 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 33' ' ' ILE . 29.3 m -142.2 176.7 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.979 -0.555 . . . . 2.26 110.636 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -82.55 98.79 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.206 -0.452 . . . . 2.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.539 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 2.2 mm -76.96 140.84 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.62 . . . . 1.53 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -110.76 117.81 34.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.02 0.438 . . . . 1.51 111.009 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -80.28 -20.66 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.601 . . . . 1.95 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -79.45 -39.69 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 3.43 110.622 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -85.48 -13.78 48.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 1.73 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 152.47 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.29 111.224 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -135.09 138.31 43.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 3.53 110.786 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 29.1 p90 -83.55 150.42 25.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 4.17 110.969 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.84 130.65 23.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 3.04 110.597 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.53 34.53 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.393 2.062 . . . . 2.3 112.548 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -89.68 -33.5 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 3.07 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.8 mt -115.21 154.43 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 3.08 111.269 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.34 153.53 41.93 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.465 . . . . 4.28 110.943 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.16 125.66 19.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.388 2.059 . . . . 2.41 111.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.561 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 3.9 pp -97.88 155.65 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 5.24 111.188 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -123.24 140.36 53.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 2.67 110.803 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 24.8 m -102.72 139.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.594 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -113.51 149.57 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 2.58 110.597 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -167.45 40.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 4.87 110.779 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.39 -20.97 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 4.17 110.366 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -135.55 18.72 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 4.62 111.084 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -53.97 120.7 6.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.559 -0.291 . . . . 1.97 111.138 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 176' ' ' THR . 31.4 m -148.7 141.4 24.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 1.9 111.205 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.8 p -89.29 164.21 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 1.87 110.847 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -111.54 -38.92 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 3.58 111.282 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -177.77 168.93 2.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.393 -0.367 . . . . 4.62 110.868 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tt -132.87 117.47 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.072 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.33 154.04 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 2.58 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.39 156.55 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 1.94 110.666 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.79 23.49 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 3.13 110.951 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.05 -7.46 81.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.643 -0.789 . . . . 2.64 112.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -146.21 -66.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.718 0.294 . . . . 4.34 110.769 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.86 159.15 15.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.387 . . . . 2.12 110.803 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -124.45 137.09 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 3.39 110.95 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -132.96 150.95 52.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 2.57 110.666 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 93' ' ' PHE . 7.3 p -107.4 137.97 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 1.95 111.103 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -112.13 135.85 52.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.84 110.902 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -100.03 151.6 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 4.12 110.764 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.94 129.5 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 3.04 111.147 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -96.12 -19.3 19.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 3.88 110.977 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -69.93 -7.06 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 3.2 110.658 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -165.99 95.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.965 -0.561 . . . . 4.06 110.533 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.62 111.63 0.68 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 2.84 111.136 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 46.1 mmtm -82.62 -62.21 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 3.26 110.856 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -111.21 117.43 33.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 1.42 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 p -135.71 150.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.72 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -130.06 154.85 47.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.3 110.789 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG2' HG22 ' A' ' 87' ' ' THR . 52.3 mtpt -130.4 145.11 51.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.354 -0.384 . . . . 2.67 111.234 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA3' ' HB3' ' A' ' 47' ' ' LEU . . . -170.31 178.57 42.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.969 -0.634 . . . . 2.5 112.179 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.44 175.08 7.71 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.425 -0.893 . . . . 2.63 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.17 -50.38 2.9 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.674 2.249 . . . . 4.13 112.359 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.38 144.94 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 3.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -85.82 3.54 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 5.04 110.864 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.89 131.51 31.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.592 -0.813 . . . . 1.92 111.962 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 80' ' ' LYS . 33.5 p -87.44 156.31 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 1.68 111.463 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -119.44 118.01 29.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 3.43 110.892 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -103.45 151.2 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 3.79 110.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -82.66 140.56 33.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.89 0.376 . . . . 2.52 110.642 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 123' ' ' TRP . 7.4 mt -103.73 -75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 2.47 111.618 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -159.52 159.17 33.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.626 -0.261 . . . . 2.41 111.389 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HD2' HG12 ' A' ' 68' ' ' VAL . 3.2 p90 -122.55 159.44 27.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 1.57 110.301 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -152.61 169.1 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 1.29 111.127 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -110.49 150.86 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 3.19 110.506 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -99.74 147.84 25.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.68 111.05 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -85.72 156.0 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 5.75 110.712 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.9 -176.71 31.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.214 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.465 ' H ' ' HB3' ' A' ' 244' ' ' TRP . 69.6 m -93.49 -34.91 13.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 4.29 111.156 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.5 ' H ' ' HB2' ' A' ' 244' ' ' TRP . 8.0 mp -109.61 140.33 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 5.2 110.739 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -117.55 79.06 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 5.33 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.34 -37.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.81 -0.709 . . . . 4.18 112.459 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 13.8 pt20 -163.88 158.31 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 4.67 110.819 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.518 ' HA2' ' HD2' ' A' ' 113' ' ' LYS . . . 120.18 83.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 1.95 112.637 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.8 p -87.95 176.26 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.29 . . . . 2.04 110.762 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.37 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 2.64 111.003 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -91.66 164.97 13.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 2.11 110.36 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 113' ' ' LYS . 81.3 p -138.86 104.76 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.506 -0.316 . . . . 1.88 111.094 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.539 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.9 m -88.78 148.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.393 . . . . 2.24 111.217 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 17.2 t70 54.71 32.68 17.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.582 . . . . 2.18 110.564 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 59.18 23.62 11.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 3.37 110.803 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 46.5 mmtm -111.81 129.0 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 3.86 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.518 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 25.5 ttpp -108.32 147.84 30.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.4 . . . . 2.57 110.55 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.59 174.0 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.18 110.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -81.55 -53.34 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 1.72 111.051 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.99 173.03 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 1.55 110.832 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 132.36 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 2.4 111.772 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.5 mt -87.7 148.15 24.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 2.07 110.119 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 3.8 t-160 -119.5 95.52 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 1.71 111.011 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.57 123.03 47.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 2.51 110.945 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 142' ' ' VAL . 27.7 t -99.78 147.67 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.391 . . . . 1.83 111.021 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -124.21 137.22 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 2.43 111.008 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.463 ' HB3' HD11 ' A' ' 91' ' ' ILE . 5.6 p-90 -116.75 145.4 43.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 3.95 110.7 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -81.02 131.53 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 2.19 111.06 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 t -80.5 -15.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.77 110.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.7 -34.07 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.93 -0.577 . . . . 3.65 110.785 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -85.91 -29.84 23.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 4.38 110.718 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.11 -0.87 7.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.979 -0.629 . . . . 2.22 113.181 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.8 145.02 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 3.07 111.246 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -81.64 -30.65 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 3.08 110.651 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.29 65.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 2.36 112.175 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -86.54 -21.23 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.955 0.407 . . . . 3.63 110.412 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.46 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -76.42 -50.09 15.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 1.73 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.7 -23.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 2.3 111.337 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -78.17 -28.76 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 3.84 111.065 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.39 147.58 33.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 3.22 110.818 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.78 -13.01 34.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.485 2.124 . . . . 2.44 112.033 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.13 13.76 13.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.536 . . . . 2.64 110.825 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -52.03 -60.15 7.94 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.015 -0.612 . . . . 1.49 112.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -139.39 146.5 40.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.788 0.328 . . . . 1.76 110.753 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -115.68 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.98 111.037 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 121' ' ' VAL . 59.1 t -91.8 131.54 38.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.158 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD12 ' HB ' ' A' ' 209' ' ' ILE . 64.9 tp -108.15 139.25 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.1 110.827 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -107.72 112.15 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 1.4 112.406 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 48.2 mm -99.08 142.68 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.77 0.319 . . . . 1.53 111.156 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -111.19 165.19 12.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 4.48 111.054 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.97 140.93 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 3.25 110.852 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.41 139.1 40.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 4.32 110.997 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.37 141.81 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 3.13 110.912 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.26 -176.32 20.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 3.15 112.376 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.6 t 57.03 73.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 3.85 110.774 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.8 163.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 3.82 111.68 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.5 117.21 45.03 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 5.19 110.929 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.82 -22.51 20.1 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.288 1.992 . . . . 3.09 112.356 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 149.69 59.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.669 -0.777 . . . . 2.71 112.684 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.95 17.66 15.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 3.94 110.651 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.81 -25.91 61.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.929 -0.578 . . . . 3.55 111.16 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -63.19 -34.94 78.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 4.82 110.747 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.27 -26.33 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 3.12 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 224' ' ' LYS . 90.4 t -56.71 -32.05 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.044 -0.525 . . . . 3.14 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.61 -25.75 41.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 3.01 110.232 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.24 -19.23 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.691 -0.686 . . . . 2.46 110.946 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.15 -35.89 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 2.31 111.076 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.03 -12.68 12.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.01 -0.541 . . . . 2.42 110.866 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 37.3 t -65.2 -24.27 67.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 1.85 111.229 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -134.8 42.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 2.44 111.348 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.481 ' HA ' ' HG ' ' A' ' 228' ' ' LEU . 60.8 pttt -59.88 -34.31 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.338 -0.392 . . . . 3.75 111.055 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 167' ' ' LYS . 70.0 p -92.24 157.2 16.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 2.36 111.041 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.4 OUTLIER -79.31 142.54 36.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.112 -0.495 . . . . 3.46 110.869 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 108.26 -15.33 36.1 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.9 -0.666 . . . . 2.2 111.92 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 166' ' ' ILE . 35.8 mmtp -87.86 177.23 7.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 3.33 111.017 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.7 p -150.72 162.8 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.27 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -158.9 137.24 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 1.89 111.088 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.59 143.93 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 3.74 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -138.16 155.9 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 4.47 111.057 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 55' ' ' THR . 6.0 t -133.97 167.21 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 4.59 110.893 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 59.54 56.56 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 6.35 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -95.85 109.28 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 4.67 110.46 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -145.71 81.87 9.77 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 3.92 111.297 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -77.62 -29.71 4.42 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.547 2.164 . . . . 4.59 112.3 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ARG . . . . . 0.511 ' HD3' HD12 ' A' ' 184' ' ' LEU . 30.5 mmt180 -82.24 -6.95 59.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 8.64 110.635 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.36 -22.61 45.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.829 -0.7 . . . . 3.43 112.727 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 183' ' ' LEU . 3.8 mm? -97.98 -16.16 19.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.709 0.29 . . . . 5.71 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.511 HD12 ' HD3' ' A' ' 181' ' ' ARG . 39.3 mt -97.41 137.26 21.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.325 -0.398 . . . . 4.53 111.076 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 148.35 29.75 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.469 2.112 . . . . 3.71 112.281 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.89 -8.65 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 6.38 111.013 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 40.3 t -95.35 101.21 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.07 110.81 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.0 pp -163.81 158.44 20.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 4.32 111.204 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.99 177.38 4.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 3.78 110.558 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 211' ' ' LEU . 43.3 p90 -169.84 145.76 3.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.847 0.355 . . . . 3.36 111.123 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -88.91 161.96 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.563 -0.532 . . . . 4.16 109.563 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.699 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -137.88 132.04 31.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 1.5 111.907 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.24 74.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.63 . . . . 2.91 110.146 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.647 ' HA ' ' H ' ' A' ' 208' ' ' TRP . 71.4 Cg_exo -49.79 142.02 26.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.858 2.372 . . . . 1.48 112.866 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 195' ' ' GLY . . . . . 0.538 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -90.42 14.12 63.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.83 -0.7 . . . . 1.64 112.155 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 110.378 -0.23 . . . . 2.75 110.378 179.798 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.793 0.33 . . . . 5.02 110.645 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.32 21.74 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 3.98 110.913 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 26.0 p -114.46 20.9 15.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 2.48 110.87 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 10.6 t -127.37 110.43 22.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.442 . . . . 1.8 111.267 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.538 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 8.9 t -113.02 147.49 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 1.27 110.564 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 208' ' ' TRP . . . . . 0.647 ' H ' ' HA ' ' A' ' 194' ' ' PRO . 16.5 t-105 -111.08 108.21 17.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 2.43 111.029 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.479 ' HB ' HD12 ' A' ' 143' ' ' LEU . 6.8 mm -105.89 153.19 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.634 . . . . 1.45 110.506 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 15.9 m -142.18 131.44 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.954 0.407 . . . . 2.12 111.479 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 190' ' ' TYR . 13.3 mt -85.61 158.43 20.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 3.85 110.935 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -88.51 -38.33 15.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 5.85 111.225 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -118.96 83.0 22.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 5.91 111.001 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.25 171.13 17.51 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.557 2.171 . . . . 3.58 112.352 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 16.5 tt -75.84 141.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 4.42 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 72.6 p -101.87 127.93 48.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.502 . . . . 3.53 111.069 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 12.5 p -109.4 143.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 2.45 110.864 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.4 t -77.59 148.14 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 3.39 111.083 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.4 p -66.45 -14.52 62.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 2.82 110.609 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -86.1 -24.98 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 4.51 110.783 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.79 -32.56 71.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.191 -0.459 . . . . 3.92 111.462 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.45 ' HA ' ' HD1' ' A' ' 225' ' ' PHE . 34.6 m -74.19 -8.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 2.44 111.05 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.81 -24.62 48.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.8 110.647 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 160' ' ' VAL . 3.2 mptp? -76.56 -33.6 58.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 3.78 110.717 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 225' ' ' PHE . . . . . 0.45 ' HD1' ' HA ' ' A' ' 222' ' ' VAL . 96.9 m-85 -69.28 -24.0 63.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 3.33 111.03 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 81.8 mtp180 -70.61 -18.28 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 4.82 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -71.37 -18.0 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 3.25 110.97 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.481 ' HG ' ' HA ' ' A' ' 167' ' ' LYS . 7.9 mp -78.99 162.03 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 2.93 110.929 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 229' ' ' ASN . . . . . 0.428 ' O ' ' HE3' ' A' ' 169' ' ' LYS . 13.2 m120 -90.4 179.23 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 2.92 111.491 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -91.54 -9.64 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 5.3 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 169' ' ' LYS . 7.3 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.79 0.329 . . . . 4.3 111.109 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.37 . . . . 5.11 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.522 ' HG3' HG22 ' A' ' 241' ' ' VAL . 25.4 ptp -61.36 -34.82 75.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 5.21 110.619 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 240' ' ' MET . 27.8 m -145.54 175.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.637 -0.71 . . . . 3.44 111.033 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -135.7 -167.99 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 3.67 110.535 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -131.28 53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 3.74 111.073 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 244' ' ' TRP . . . . . 0.5 ' HB2' ' H ' ' A' ' 100' ' ' LEU . 67.4 t-105 -121.89 115.91 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 3.25 110.985 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.595 ' HA ' ' HE ' ' A' ' 245' ' ' ARG . 1.6 mmp_? -135.68 150.38 71.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 3.78 110.591 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.582 ' HB2' ' HG2' ' A' ' 30' ' ' PRO . 34.8 Cg_exo -57.62 164.82 6.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.523 2.148 . . . . 2.43 112.239 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.38 38.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 3.18 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.21 120.96 66.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 5.35 110.462 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 249' ' ' PRO . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 251' ' ' LYS . 31.8 Cg_exo -58.43 123.89 14.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.252 1.968 . . . . 4.02 112.116 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 18.7 tp -79.8 -8.78 59.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 3.94 110.559 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 251' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 249' ' ' PRO . 44.6 mmtm 58.59 17.49 5.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 6.83 111.047 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.17 150.02 48.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.29 -0.414 . . . . 5.02 110.488 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 253' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 253' ' ' ARG . 5.9 mpt_? -111.16 2.92 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 5.82 111.554 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.01 117.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 3.22 111.206 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 5.7 tp -116.61 124.39 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 2.02 110.861 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.41 141.05 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 2.91 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.699 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.5 170.94 15.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 1.46 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 192' ' ' THR . 29.8 t -102.28 -2.06 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 2.32 110.255 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.41 ' C ' ' HB3' ' A' ' 40' ' ' TYR . 73.1 t80 -111.77 148.23 33.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 3.3 110.595 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.037 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.513 0.197 . . . . 3.57 111.147 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.97 132.78 51.59 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.661 2.241 . . . . 2.88 112.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 249' ' ' PRO . 75.7 t -141.41 152.43 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 2.26 110.699 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 3.2 m-20 -76.41 98.49 4.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.349 . . . . 2.44 110.442 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 255' ' ' ILE . 2.7 mp -91.06 147.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.338 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 37' ' ' THR . 9.0 m-20 -109.95 129.36 55.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 1.51 111.076 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -72.81 -17.8 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 1.95 110.734 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -74.17 -40.95 62.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.798 -0.637 . . . . 3.43 111.061 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 34' ' ' ASP . 14.9 t -75.23 -5.37 44.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 1.73 111.033 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 157.63 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 1.29 111.221 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -122.66 149.64 43.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 3.53 110.644 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 260' ' ' LYS . 10.2 p90 -81.03 114.21 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 4.17 111.217 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.16 90.92 45.89 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 3.04 110.836 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.02 53.7 4.69 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.55 2.167 . . . . 2.3 112.626 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -87.22 -41.95 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 3.07 110.683 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.7 mm? -91.57 94.23 9.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 3.08 110.621 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.9 147.68 33.78 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 4.28 111.024 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 125.78 9.37 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.266 1.978 . . . . 2.41 111.778 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 tp -124.28 -62.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 5.24 110.946 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.503 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 55.1 m -135.82 139.82 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 2.67 111.061 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.75 124.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 2.44 111.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 m -113.37 142.65 45.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 2.58 110.814 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -177.7 37.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 4.87 111.002 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -92.64 -43.94 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 4.17 110.819 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -89.68 -4.85 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 4.62 110.755 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.08 120.66 5.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.277 -0.42 . . . . 1.97 110.791 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.578 HG23 ' H ' ' A' ' 178' ' ' PHE . 85.7 m -157.5 145.44 18.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 1.9 111.68 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -92.64 150.79 20.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.85 -0.614 . . . . 1.87 110.157 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 tp -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 3.58 111.794 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' ILE . 42.1 ttp180 -159.5 157.69 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.421 . . . . 4.62 111.754 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 14.2 tt -131.01 126.75 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.782 -0.644 . . . . 1.72 110.418 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 172' ' ' SER . 43.3 tp -112.87 148.12 35.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 2.58 111.01 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -109.05 155.1 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.94 110.776 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.56 23.89 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.739 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 78.28 14.63 82.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.453 -0.88 . . . . 2.64 112.608 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -178.77 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 4.34 110.752 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.68 125.3 50.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 2.12 110.621 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HD2' HD11 ' A' ' 59' ' ' ILE . 45.7 p90 -123.21 139.66 53.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.733 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -131.67 152.47 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.782 -0.645 . . . . 2.57 109.786 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -92.17 138.02 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.616 0.246 . . . . 1.95 110.987 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 9.9 pt-20 -119.14 143.75 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 3.84 111.453 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.85 172.21 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 4.12 110.882 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 20.9 t70 -59.99 120.57 9.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 3.04 110.753 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.31 -14.96 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 3.88 110.945 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.3 t -71.51 -11.45 60.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 3.2 111.146 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -154.66 153.69 31.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.313 -0.403 . . . . 4.06 110.817 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.09 118.58 18.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 2.84 110.857 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 70.7 mmtt -91.09 -82.4 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.26 111.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -115.21 123.35 48.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 1.42 111.71 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.36 165.04 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 1.72 110.658 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 5.4 mp -129.91 155.72 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 2.3 110.822 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 62.7 mttp -145.69 143.39 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.702 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.637 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . -99.02 -176.24 31.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.678 -0.772 . . . . 2.5 112.564 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.69 -87.54 0.34 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.607 -0.806 . . . . 2.63 112.75 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.25 -60.47 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.6 2.2 . . . . 4.13 112.686 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 ' HA3' ' A' ' 81' ' ' GLY . 2.0 pt? -63.65 145.85 54.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 3.0 110.951 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.57 13.14 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 5.04 110.593 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.77 132.12 21.84 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.836 -0.697 . . . . 1.92 112.49 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.8 m -108.73 126.43 52.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 1.68 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 83.0 m-85 -86.43 122.73 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 3.43 110.625 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -96.15 153.49 17.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 3.79 110.716 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.9 tt -118.78 128.93 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.929 -0.397 . . . . 2.52 109.929 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -119.5 -69.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.193 0.442 . . . . 2.47 112.193 -179.279 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.604 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 61.7 mt-30 -139.43 162.96 33.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.83 0.348 . . . . 2.41 111.617 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -155.05 161.64 41.27 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.188 -0.46 . . . . 1.57 110.837 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.482 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.2 p-80 -147.58 168.27 22.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 1.29 110.49 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 118' ' ' LEU . 13.2 p90 -117.13 147.92 42.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.901 0.382 . . . . 3.19 111.875 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -107.28 165.91 11.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.966 -0.561 . . . . 1.68 110.929 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -147.59 167.29 24.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.29 -0.414 . . . . 5.75 111.107 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.2 156.06 22.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.579 . . . . 3.04 112.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 -18.76 60.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 4.29 111.031 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -96.7 153.31 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 5.2 110.973 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.91 29.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 5.33 110.734 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.47 -46.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.855 -0.688 . . . . 4.18 112.525 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -166.65 157.79 12.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 4.67 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.86 71.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.488 -0.863 . . . . 1.95 113.089 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -126.28 -82.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 2.04 110.802 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 46.3 mt-10 -151.09 -88.28 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.384 -0.371 . . . . 2.64 111.42 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.46 171.89 8.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 2.11 111.356 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 86.8 m -139.56 91.33 2.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 1.88 110.728 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.52 147.81 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 2.24 111.024 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.8 37.66 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 2.18 110.816 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 59.2 24.87 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.931 0.396 . . . . 3.37 111.079 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 108' ' ' THR . 32.6 mmmt -136.15 123.36 21.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 3.86 110.831 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -83.98 144.58 29.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 2.57 110.995 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -70.39 140.93 52.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 2.18 110.529 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.62 -28.84 22.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 1.72 110.773 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.28 136.61 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 1.55 110.114 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -152.45 138.57 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 2.4 111.265 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 HD21 ' A' ' 147' ' ' LEU . 4.4 pp -87.18 147.9 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 2.07 111.289 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -101.38 121.56 42.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.907 -0.588 . . . . 1.71 110.958 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 90.9 mt -102.37 116.57 32.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 2.51 110.879 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.46 121.92 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 1.83 110.824 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -131.64 154.68 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 2.43 110.507 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -165.11 118.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 3.95 110.958 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -55.54 133.4 50.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 2.19 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.2 t -82.1 -14.76 55.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.77 111.434 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 7.6 mtpm? -59.42 -24.83 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 3.65 111.176 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -81.04 -26.78 36.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 4.38 111.246 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.97 -44.78 3.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.643 -0.789 . . . . 2.22 112.614 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.05 149.63 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 3.07 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -63.5 -19.35 64.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 3.08 111.038 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.75 -43.44 96.24 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.592 -0.813 . . . . 2.36 112.402 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.19 -19.82 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 3.63 110.743 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.31 -51.51 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 1.73 110.603 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.31 -7.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 2.3 111.498 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.19 -15.72 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 3.84 110.695 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -140.27 156.03 70.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 3.22 110.713 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.18 -16.95 57.69 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.79 2.327 . . . . 2.44 112.867 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.29 10.85 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.704 0.288 . . . . 2.64 111.073 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.01 -76.04 0.2 Allowed Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.949 -0.643 . . . . 1.49 112.723 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -128.1 155.82 43.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.69 0.281 . . . . 1.76 110.873 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.14 34.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.98 111.509 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.3 t -127.32 107.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.258 -0.428 . . . . 1.3 110.979 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.586 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 10.4 mp -86.13 144.27 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 2.1 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.2 123.5 4.22 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.694 -0.765 . . . . 1.4 112.843 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.2 mt -110.86 136.15 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.694 0.283 . . . . 1.53 110.735 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.623 ' H ' ' HG2' ' A' ' 214' ' ' PRO . 40.8 t80 -76.4 145.09 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.431 -0.35 . . . . 4.48 110.986 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 118' ' ' LEU . 89.0 mt -132.82 124.16 27.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 3.25 110.891 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' ' 215' ' ' ILE . 28.1 ttpp -146.43 144.47 29.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.786 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.61 121.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 3.13 111.187 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.83 -94.62 0.48 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.81 -0.71 . . . . 3.15 112.403 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.4 p -93.02 171.54 8.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 3.85 110.892 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -70.48 -164.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 3.82 111.198 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -72.73 113.12 18.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 5.19 111.066 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.25 -17.18 17.09 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.29 1.993 . . . . 3.09 112.083 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.93 59.07 0.01 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.829 -0.701 . . . . 2.71 112.726 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.86 34.43 5.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 3.94 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 160' ' ' VAL . 45.9 mt-30 -55.78 -36.71 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 3.55 111.065 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 158' ' ' LYS . 1.0 OUTLIER -68.45 -24.31 64.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 4.82 111.074 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.8 -36.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 3.12 111.307 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.506 ' HA ' HD22 ' A' ' 163' ' ' LEU . 28.3 m -80.89 -18.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.14 111.05 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.38 -37.24 20.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 3.01 111.071 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.81 -44.05 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 2.46 111.907 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 228' ' ' LEU . 0.2 OUTLIER -75.17 -21.06 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.31 110.763 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.456 ' N ' HD23 ' A' ' 163' ' ' LEU . 13.9 t70 -58.81 -17.61 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.919 -0.582 . . . . 2.42 109.867 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 56.3 m -94.13 -29.71 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 1.85 110.895 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.586 HG12 ' HA ' ' A' ' 163' ' ' LEU . 0.3 OUTLIER -91.63 50.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 2.44 110.816 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.73 -40.28 62.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.044 -0.525 . . . . 3.75 110.599 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.9 p -114.98 137.71 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.675 -0.693 . . . . 2.36 110.66 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 63' ' ' GLY . 1.2 mptm? -60.48 147.77 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 3.46 111.094 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.3 -6.8 26.76 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.668 -0.696 . . . . 2.2 112.134 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.475 ' HB2' HG23 ' A' ' 166' ' ' ILE . 99.7 mttt -109.19 177.14 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 3.33 110.93 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' SER . . . . . 0.512 ' HB3' HD12 ' A' ' 60' ' ' LEU . 67.7 p -151.32 168.71 23.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 2.27 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -161.39 142.73 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.89 110.819 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.56 136.39 33.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 3.74 111.219 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -149.31 142.21 24.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 4.47 110.45 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.1 t -129.41 176.69 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.36 -0.382 . . . . 4.59 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 60.37 56.79 3.07 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.929 0.395 . . . . 6.35 110.869 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' PHE . . . . . 0.578 ' H ' HG23 ' A' ' 55' ' ' THR . 73.4 t80 -81.84 147.48 29.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 4.67 110.836 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.76 113.67 23.48 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 3.92 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.08 -21.22 12.31 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.337 2.025 . . . . 4.59 112.207 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 74.7 mtp180 -71.77 -11.23 60.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.652 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -58.81 -29.33 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 3.43 112.261 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.2 pp -117.07 12.08 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 5.71 111.128 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 41.6 tp -57.82 119.23 32.03 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.224 -0.444 . . . . 4.53 111.02 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 184' ' ' LEU . 48.6 Cg_endo -68.88 131.14 21.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.187 1.925 . . . . 3.71 111.964 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.5 -24.13 39.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 6.38 111.291 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 46.7 t -142.49 166.93 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.352 . . . . 5.07 111.019 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 93.1 mt -107.64 31.52 5.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.32 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 212' ' ' LYS . 5.3 m-20 -136.13 147.76 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 3.78 110.242 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -170.0 171.66 6.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 3.36 111.225 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.458 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -107.41 174.42 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 4.16 109.969 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.9 t -151.62 137.03 17.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.13 0.419 . . . . 1.5 112.13 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -132.4 78.64 67.47 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 2.91 110.306 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 130.08 34.86 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.794 2.329 . . . . 1.48 112.731 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 204' ' ' GLU . . . -127.31 -172.72 13.31 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.899 -0.667 . . . . 1.64 112.334 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.333 -0.141 0 CA-C-O 120.532 0.206 . . . . 2.75 110.838 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 204' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.895 0.379 . . . . 5.02 111.079 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 204' ' ' GLU . . . . . 0.429 ' N ' HD23 ' A' ' 203' ' ' LEU . 11.6 pt-20 -84.01 30.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.213 0.53 . . . . 3.98 109.922 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 49.6 t -57.22 -17.66 12.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 2.48 111.555 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.48 136.04 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 1.8 111.412 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 54.9 m -113.16 146.17 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.284 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -113.71 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 2.43 110.706 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.586 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 4.4 mp -114.22 135.71 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 1.45 110.729 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.99 117.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 2.12 111.036 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.5 ' HB2' ' HG3' ' A' ' 214' ' ' PRO . 7.8 mp -62.78 171.42 2.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.244 -0.434 . . . . 3.85 110.744 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 61.8 mtpt -58.64 -55.59 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 5.85 111.194 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.85 70.9 1.26 Allowed Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.294 -0.412 . . . . 5.91 111.307 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' PRO . . . . . 0.623 ' HG2' ' H ' ' A' ' 146' ' ' PHE . 90.0 Cg_endo -83.07 152.29 14.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.713 2.275 . . . . 3.58 112.481 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 215' ' ' ILE . . . . . 0.427 HD12 ' HE3' ' A' ' 148' ' ' LYS . 6.0 tt -162.85 111.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 4.42 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 41.4 m -137.55 102.22 4.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.349 -0.387 . . . . 3.53 111.081 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.71 137.67 15.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.342 -0.39 . . . . 2.45 110.877 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 222' ' ' VAL . 35.9 m -115.49 151.09 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 3.39 110.697 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.6 m -72.77 -13.45 61.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 2.82 111.095 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -83.2 -45.01 14.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 4.51 111.276 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -66.04 -25.33 67.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 3.92 110.498 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 218' ' ' SER . 77.3 t -83.22 -30.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 2.44 110.72 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.59 -43.56 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 2.8 110.454 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.06 -17.29 37.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 3.78 110.743 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.11 -35.69 79.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 3.33 110.542 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.09 -30.44 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 4.82 110.795 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.39 -23.83 62.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 3.25 111.035 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 163' ' ' LEU . 91.4 mt -81.7 162.16 23.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 2.93 111.316 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -130.32 158.49 39.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.966 -0.561 . . . . 2.92 110.962 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -54.32 -47.4 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 5.3 110.652 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 4.3 110.81 179.673 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 241' ' ' VAL . 75.0 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 5.11 110.741 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.95 -12.64 56.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 5.21 111.04 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 239' ' ' LEU . 34.1 m -86.05 -171.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 3.44 111.086 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.4 t70 71.61 44.48 0.51 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.141 0.496 . . . . 3.67 110.365 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -134.52 55.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 3.74 111.098 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -101.97 172.91 6.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 3.25 111.144 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.446 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 98.0 mtt180 -133.23 107.42 12.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 3.78 110.73 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.84 147.78 13.7 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.647 2.232 . . . . 2.43 112.774 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -130.46 136.07 48.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.984 -0.553 . . . . 3.18 110.997 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -137.79 133.6 17.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 5.35 110.819 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 249' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 31' ' ' VAL . 83.9 Cg_endo -81.48 124.89 4.85 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.514 2.143 . . . . 4.02 112.634 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.2 mm? -78.61 -48.89 14.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 3.94 110.455 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -143.36 -64.38 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 6.83 110.538 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -175.64 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 5.02 110.255 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 62.55 149.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 5.82 111.71 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -102.15 135.31 43.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 3.22 110.548 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 33' ' ' ILE . 6.5 tt -112.04 116.01 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 2.02 111.702 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.16 163.48 22.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.325 -0.62 . . . . 2.91 109.325 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.55 146.25 8.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.472 -0.491 . . . . 1.46 112.164 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.2 t -74.52 -19.11 60.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.566 -0.743 . . . . 2.32 109.246 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 90.6 t80 -111.73 141.0 45.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.205 -0.907 . . . . 3.3 110.134 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 260' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 93.9 mttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.124 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.705 0.288 . . . . 3.57 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 127.79 16.0 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.561 2.174 . . . . 2.88 112.452 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -144.34 145.88 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 2.26 111.354 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.455 ' N ' ' HB1' ' A' ' 247' ' ' ALA . 27.1 m-20 -61.7 115.04 3.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.515 . . . . 2.44 110.66 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 6.9 mm -50.13 128.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 1.53 111.382 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.51 111.156 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.6 m -80.31 -40.5 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.626 . . . . 1.95 110.922 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.48 -35.23 80.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 3.43 111.016 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 m -75.54 -22.7 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 1.73 110.814 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.59 155.83 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 1.29 111.034 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -123.9 142.34 51.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 3.53 111.084 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -66.5 133.6 50.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 4.17 110.818 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 258' ' ' SER . 16.7 t70 -125.68 90.98 49.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 3.04 111.113 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.24 20.86 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.668 2.246 . . . . 2.3 112.443 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -62.18 -45.7 92.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 3.07 111.073 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' A' ' 82' ' ' GLY . 3.2 mm? -80.34 151.94 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 3.08 110.847 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -108.28 141.43 23.2 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.345 -0.389 . . . . 4.28 110.839 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.67 125.62 18.84 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.27 1.98 . . . . 2.41 111.853 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.537 ' HB2' ' HA2' ' A' ' 81' ' ' GLY . 5.5 tp -130.87 -168.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 5.24 111.056 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.548 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 56.8 m -64.5 151.7 43.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 2.67 111.494 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.98 116.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 2.44 111.182 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m -113.7 146.01 40.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 2.58 110.813 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -174.32 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 4.87 111.194 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -64.35 -15.96 61.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 4.17 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -95.89 -10.9 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 4.62 111.06 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -54.64 126.31 23.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 1.97 111.521 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 m -112.63 139.35 48.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.9 111.163 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -95.94 162.46 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 1.87 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.2 tp -111.86 -38.83 4.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 3.58 111.428 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -172.98 156.64 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 4.62 110.904 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 68' ' ' VAL . 71.5 mt -132.66 112.01 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 1.72 110.665 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 tp -112.91 140.56 47.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 2.58 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.4 m-20 -112.46 149.03 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.896 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -106.62 21.65 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 3.13 110.635 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.82 -25.6 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.835 -0.697 . . . . 2.64 112.401 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -112.79 -57.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 4.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.14 153.55 49.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 2.12 110.77 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 47.6 p90 -137.28 164.11 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 3.39 111.398 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -133.06 152.57 51.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.809 -0.632 . . . . 2.57 110.742 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -108.08 107.12 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 1.95 110.866 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.38 140.79 29.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 3.84 111.403 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -116.63 177.37 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 4.12 110.404 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.38 134.98 39.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 3.04 110.827 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -101.33 -24.43 14.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.209 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -70.07 -15.7 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 3.2 111.038 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -157.12 145.99 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 4.06 111.013 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.35 94.31 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.84 110.653 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 44.4 mmtm -58.22 -62.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 3.26 111.347 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . . . -90.78 142.7 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 1.42 111.307 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 50' ' ' SER . 18.4 m -143.67 159.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 1.72 110.855 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 94.3 mt -131.69 117.89 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 2.3 111.105 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 90.8 mttt -131.49 153.6 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 2.67 110.519 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.537 ' HA2' ' HB2' ' A' ' 47' ' ' LEU . . . 160.89 112.18 0.29 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.788 . . . . 2.5 112.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 44' ' ' LEU . . . 122.44 175.72 14.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.636 -0.792 . . . . 2.63 112.462 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.77 -6.34 18.48 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.4 2.067 . . . . 4.13 112.014 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.28 156.56 15.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.873 -0.603 . . . . 3.0 111.099 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.7 22.51 15.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 5.04 110.605 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.78 149.72 17.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.909 -0.662 . . . . 1.92 112.503 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.415 ' OG1' ' HE2' ' A' ' 80' ' ' LYS . 97.9 m -126.15 133.15 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 1.68 111.285 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 84.2 m-85 -87.05 125.56 34.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 3.43 110.502 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -102.5 147.64 26.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 3.79 111.234 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.3 mp -97.95 139.08 34.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 2.52 110.682 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -118.28 -59.05 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 2.47 111.762 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' H ' HG12 ' A' ' 91' ' ' ILE . 23.1 pt20 -159.35 160.0 34.52 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.871 0.322 . . . . 2.41 111.871 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 30.7 p90 -137.19 160.01 40.24 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.122 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.44 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 13.2 p-80 -132.42 167.9 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 1.29 111.723 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -117.85 145.56 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 3.19 110.379 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -96.83 129.4 44.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 1.68 111.243 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -134.08 -177.2 4.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.87 -0.605 . . . . 5.75 110.453 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.17 162.02 29.91 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.616 -0.802 . . . . 3.04 112.614 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.1 t -107.79 8.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 4.29 110.771 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' HB2' ' CG ' ' A' ' 242' ' ' ASP . 11.3 mt -113.93 159.92 19.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.934 -0.575 . . . . 5.2 110.452 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.76 105.98 15.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 5.33 111.088 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.12 -69.88 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.894 -0.669 . . . . 4.18 112.056 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -147.91 174.77 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 4.67 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.33 -78.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.773 . . . . 1.95 112.26 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.0 p -106.92 -170.16 1.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 2.04 110.964 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 244' ' ' TRP . 35.7 tt0 -86.63 -73.2 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 2.64 110.752 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -94.89 168.16 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.11 110.366 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 113' ' ' LYS . 77.3 p -135.7 123.94 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 1.88 111.596 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 30.9 m -96.99 141.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 2.24 110.523 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 54.91 34.87 23.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.397 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 60.29 25.25 14.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.574 . . . . 3.37 111.397 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -116.56 129.66 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 3.86 110.935 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 108' ' ' THR . 39.0 ttmt -97.6 155.5 16.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 2.57 111.075 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.467 ' CD1' ' HB2' ' A' ' 148' ' ' LYS . 31.4 m-85 -118.64 173.91 6.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 2.18 110.735 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.94 -47.13 9.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.72 111.289 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.97 171.46 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 1.55 110.41 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.85 131.12 12.01 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 2.4 112.086 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 145' ' ' ILE . 3.9 pp -90.83 148.05 22.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.144 -0.48 . . . . 2.07 109.951 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.44 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -110.7 106.85 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 1.71 111.675 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 143' ' ' LEU . 50.1 tp -89.67 107.99 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 2.51 110.337 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.34 113.09 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 1.83 111.563 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.517 ' HE2' ' HB2' ' A' ' 143' ' ' LEU . 34.8 p80 -131.88 155.02 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 2.43 110.172 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -162.32 141.48 9.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 3.95 111.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LYS . 50.0 t30 -61.34 121.46 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.701 -0.681 . . . . 2.19 110.896 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -80.01 -14.84 58.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 1.77 111.457 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 124' ' ' ASN . 74.9 mmtt -59.16 -18.89 40.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 3.65 110.783 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 64.4 m-85 -79.21 7.5 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 4.38 110.948 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.35 -72.74 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.844 -0.693 . . . . 2.22 112.529 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -136.33 171.89 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 3.07 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -59.95 -22.77 62.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 3.08 110.991 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.46 -53.8 39.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.853 -0.689 . . . . 2.36 112.672 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 127' ' ' TYR . 23.8 tptm -73.36 -20.66 60.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.63 110.808 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.89 -48.12 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.73 111.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 28.0 m -66.64 -2.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 2.3 111.713 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.48 -15.14 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 3.84 111.043 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.89 144.5 53.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 3.22 110.646 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.91 -11.15 30.07 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 2.44 111.95 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -111.85 -4.82 14.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 2.64 111.012 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.79 28.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 1.49 112.422 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 132.54 54.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 1.76 110.392 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 144.31 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.98 111.108 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.79 108.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 1.3 111.043 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 9.6 tt -88.13 117.63 27.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 2.1 110.881 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 127.46 8.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.858 -0.686 . . . . 1.4 112.39 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.528 HD12 HD11 ' A' ' 118' ' ' LEU . 62.5 mt -107.02 132.42 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 1.53 110.947 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -85.79 165.69 16.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 4.48 110.867 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.9 mt -140.07 121.08 14.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.983 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 114' ' ' TYR . 88.1 tttt -127.93 153.76 46.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 4.32 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -87.63 152.3 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 3.13 110.629 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 218' ' ' SER . . . 144.88 -179.4 22.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.662 -0.78 . . . . 3.15 112.141 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 m 58.44 84.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.819 0.343 . . . . 3.85 110.334 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 3.82 111.942 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.43 117.53 21.0 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.752 -0.658 . . . . 5.19 111.264 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.22 -18.18 14.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.383 2.055 . . . . 3.09 112.117 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.13 59.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.911 -0.662 . . . . 2.71 112.488 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 159' ' ' VAL . 95.4 mt -135.63 35.53 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 3.94 110.761 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -53.56 -61.86 2.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.839 -0.619 . . . . 3.55 111.326 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.42 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.619 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 156' ' ' LEU . 85.7 t -55.72 -45.72 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.379 . . . . 3.12 111.391 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.426 ' O ' HD22 ' A' ' 163' ' ' LEU . 16.5 m -85.12 -14.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 3.14 111.264 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.8 -19.15 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 111.005 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.97 -17.34 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 2.46 111.814 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 160' ' ' VAL . 1.8 pt? -58.35 -22.3 52.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.741 0.305 . . . . 2.31 111.414 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -55.78 -12.55 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 2.42 110.797 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -12.13 35.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 1.85 110.875 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.2 mp -127.62 50.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.609 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 167' ' ' LYS . 6.9 ttpm? -53.34 -47.74 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 3.75 111.121 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 41.1 p -84.78 160.57 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.413 . . . . 2.36 111.022 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 1.5 tmmt? -80.43 107.56 13.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 3.46 110.863 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.52 8.97 24.14 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.594 -0.812 . . . . 2.2 113.31 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.401 ' HB3' HG23 ' A' ' 166' ' ' ILE . 23.7 ttmm -84.48 156.54 21.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.883 0.342 . . . . 3.33 110.765 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 94.3 p -97.69 165.95 11.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 2.27 110.804 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.66 37.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 1.89 111.254 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.89 157.74 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.968 -0.56 . . . . 3.74 110.865 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -48.34 135.71 13.37 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.045 -0.525 . . . . 4.47 111.175 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.3 t -162.61 -172.4 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 4.59 110.824 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 65.3 t30 57.33 49.41 13.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.972 0.415 . . . . 6.35 110.705 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -92.0 136.92 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 4.67 110.945 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.14 90.92 25.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 3.92 111.023 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.19 -47.48 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.361 2.041 . . . . 4.59 112.252 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.99 -18.09 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 8.64 110.698 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -78.97 26.35 2.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 3.43 112.475 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.98 9.33 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 5.71 111.032 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.2 127.23 90.7 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 4.53 110.757 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.95 131.78 46.29 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.382 2.055 . . . . 3.71 112.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.61 -16.34 54.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 6.38 111.178 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 37.6 t 60.71 175.24 0.1 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.203 -0.453 . . . . 5.07 110.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.14 110.07 22.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.472 -0.331 . . . . 4.32 110.658 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.9 p30 176.89 118.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.905 -0.589 . . . . 3.78 110.264 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 210' ' ' VAL . 45.4 p90 -169.86 161.8 9.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.756 0.313 . . . . 3.36 110.813 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.749 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.5 m-90 -105.37 122.53 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 4.16 110.112 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.458 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -127.54 171.24 11.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 1.5 111.599 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -159.35 130.21 3.73 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 2.91 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.558 ' HA ' HG23 ' A' ' 207' ' ' THR . 73.9 Cg_exo -50.45 127.73 21.27 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.47 2.113 . . . . 1.48 112.491 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 195' ' ' GLY . . . . . 0.465 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -116.19 37.96 3.22 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.742 -0.742 . . . . 1.64 112.964 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 110.553 -0.166 . . . . 2.75 110.553 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 203' ' ' LEU . 2.3 pt? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.05 0.453 . . . . 5.02 111.183 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -124.93 20.96 8.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 3.98 110.36 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 80.0 m -100.55 29.39 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 2.48 110.58 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.74 112.46 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.783 -0.644 . . . . 1.8 110.88 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.6 m -112.49 145.33 40.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.45 -0.341 . . . . 1.27 110.796 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -95.74 108.35 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 2.43 110.702 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.63 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.9 mp -108.77 142.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.45 110.944 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 26.2 t -138.03 116.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 2.12 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.86 155.7 15.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.382 -0.372 . . . . 3.85 110.71 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -48.06 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 5.85 110.677 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.99 88.76 8.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 5.91 110.814 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.92 153.93 71.79 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.516 2.144 . . . . 3.58 112.515 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.07 142.56 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 4.42 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -136.75 155.3 50.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 3.53 111.519 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.36 169.39 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.818 -0.628 . . . . 2.45 110.771 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 46.9 t -107.09 154.14 21.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.5 -0.318 . . . . 3.39 110.854 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 54.2 m -55.61 -22.0 20.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 2.82 110.818 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -85.5 -32.81 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 4.51 110.604 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.55 -32.43 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 3.92 110.419 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.93 -26.75 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.614 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.596 HD12 ' HD3' ' A' ' 226' ' ' ARG . 48.0 tp -56.28 -34.46 66.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 2.8 110.477 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.87 -28.92 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 3.78 110.381 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.58 -25.9 62.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 3.33 110.707 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.596 ' HD3' HD12 ' A' ' 223' ' ' LEU . 42.6 mtp180 -60.35 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 4.82 110.486 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.69 -26.15 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 3.25 110.409 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.84 162.19 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 2.93 110.789 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -131.9 156.94 45.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 2.92 111.204 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.418 ' HB2' ' HG2' ' A' ' 240' ' ' MET . 41.1 t80 -97.93 3.36 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.76 -0.655 . . . . 5.3 110.598 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' ' 169' ' ' LYS . 8.5 p30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 4.3 111.373 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.649 0.261 . . . . 5.11 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.418 ' HG2' ' HB2' ' A' ' 230' ' ' PHE . 54.7 mtt -127.67 42.18 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 5.21 111.232 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 6.6 p -176.17 136.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.094 0.474 . . . . 3.44 111.641 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 100' ' ' LEU . 26.9 t70 -161.16 26.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 3.67 110.67 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -96.59 56.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 3.74 111.258 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 244' ' ' TRP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 106' ' ' GLU . 65.6 p-90 -101.73 155.74 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.91 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -140.8 151.69 63.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 3.78 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.1 162.33 16.94 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.413 2.075 . . . . 2.43 111.802 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 247' ' ' ALA . . . . . 0.455 ' HB1' ' N ' ' A' ' 32' ' ' ASP . . . -163.05 41.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 3.18 111.118 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.82 133.16 93.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 5.35 110.99 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.12 123.93 6.4 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.359 2.039 . . . . 4.02 112.39 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.3 mm? -80.0 -48.83 12.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 3.94 110.788 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.95 -63.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 6.83 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -171.13 -54.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 5.02 110.885 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 63.15 168.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 5.82 111.108 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -124.08 124.28 42.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 3.22 111.284 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 27.2 mm -84.09 106.87 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 2.02 111.176 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 256' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 192' ' ' THR . 57.9 tptt -77.13 92.23 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 2.91 110.191 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.46 111.507 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 41' ' ' ASP . 48.0 t -90.23 -27.12 19.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.872 -0.604 . . . . 2.32 110.482 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -111.96 158.34 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.865 -0.607 . . . . 3.3 110.544 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.164 -0.922 . . . . 4.59 111.232 -179.797 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.363 0.125 . . . . 3.57 111.087 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.7 133.35 32.66 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.813 2.342 . . . . 2.88 112.141 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 250' ' ' LEU . 90.6 t -121.92 154.36 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.073 -0.512 . . . . 2.26 110.773 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -88.4 98.54 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 2.44 110.116 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 HG13 ' A' ' 255' ' ' ILE . 3.0 mp -78.6 136.49 23.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 1.53 111.146 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.604 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -110.55 129.21 55.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 1.51 110.889 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -80.28 -18.51 49.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 1.95 111.212 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -81.76 -38.68 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 3.43 111.674 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 34' ' ' ASP . 6.2 t -84.84 -17.22 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.703 0.287 . . . . 1.73 111.521 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 155.83 12.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.405 . . . . 1.29 111.226 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -124.13 132.87 53.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 3.53 110.69 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' HB3' ' N ' ' A' ' 260' ' ' LYS . 47.6 p90 -73.87 134.87 43.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 4.17 110.987 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.42 90.94 42.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 3.04 110.685 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.17 52.11 3.55 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.643 2.229 . . . . 2.3 112.69 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -68.97 -45.0 71.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 3.07 110.816 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.29 142.04 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 3.08 110.922 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -108.44 151.5 41.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 4.28 110.974 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 188' ' ' LEU . 35.5 Cg_endo -65.21 125.9 15.4 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.182 1.921 . . . . 2.41 111.359 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.11 -64.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 5.24 111.638 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -135.36 110.01 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 2.67 111.272 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 79' ' ' LEU . 49.1 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 2.44 110.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 m -110.91 143.68 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 2.58 110.801 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -173.23 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 4.87 110.68 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.98 -20.56 65.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 4.17 109.803 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -98.06 -13.61 20.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.649 -0.705 . . . . 4.62 110.296 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.39 161.38 7.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 1.97 111.13 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 m -128.14 136.27 50.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 1.9 111.142 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.3 p -87.15 175.44 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.759 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -111.64 -39.09 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 3.58 110.705 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -174.18 158.02 2.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 4.62 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.3 mt -131.46 103.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 1.72 110.769 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD13 ' OG ' ' A' ' 172' ' ' SER . 44.5 tp -113.76 149.9 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 2.58 110.597 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.548 HD21 HG21 ' A' ' 166' ' ' ILE . 15.4 m-80 -103.7 150.51 23.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 1.94 111.047 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -106.39 21.91 16.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.13 111.329 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.35 11.98 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.556 -0.831 . . . . 2.64 112.604 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -177.85 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.577 0.227 . . . . 4.34 111.432 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.04 179.23 4.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 2.12 111.197 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB2' ' HD1' ' A' ' 95' ' ' PHE . 62.1 m-85 -120.07 145.95 46.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 3.39 110.491 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.9 104.91 6.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.497 -0.32 . . . . 2.57 110.457 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.14 138.29 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 1.95 111.362 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -125.2 170.34 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 3.84 110.967 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -115.14 155.75 26.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 4.12 110.791 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.63 135.36 48.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 3.04 110.753 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.99 16.24 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 3.88 110.923 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.7 t -54.1 -39.35 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 3.2 110.895 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.409 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.3 tp-100 -166.91 -70.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.299 -0.409 . . . . 4.06 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 4.0 p30 -174.77 156.18 2.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 2.84 110.759 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 73.8 mmtt -145.13 -74.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 3.26 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.3 131.52 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.42 111.065 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.44 156.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.921 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 56.2 tp -128.4 134.17 48.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.342 . . . . 2.3 110.947 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -155.3 143.46 20.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 2.67 110.696 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.96 -176.38 33.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 2.5 112.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.01 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.811 -0.709 . . . . 2.63 112.744 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -10.22 28.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.403 2.069 . . . . 4.13 112.32 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.65 130.83 44.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.519 . . . . 3.0 110.809 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -111.47 58.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 5.04 110.538 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.71 108.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.895 -0.669 . . . . 1.92 112.404 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.1 p -80.95 156.14 26.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 1.68 111.309 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.624 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 89.4 m-85 -125.88 126.68 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 3.43 110.636 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 122' ' ' HIS . 80.5 mtm180 -103.3 129.26 50.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.587 -0.279 . . . . 3.79 110.875 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 mt -82.69 140.44 33.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.421 -0.354 . . . . 2.52 110.564 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' HA ' ' A' ' 122' ' ' HIS . 3.1 mm -103.82 -69.95 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.275 -0.421 . . . . 2.47 111.919 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -159.24 168.39 26.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.712 -0.222 . . . . 2.41 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 47.6 p90 -155.79 155.58 33.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.065 0.459 . . . . 1.57 111.731 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.4 p-80 -125.86 168.19 14.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.577 -0.738 . . . . 1.29 110.403 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' HD1' ' HB2' ' A' ' 66' ' ' PHE . 86.7 m-85 -114.71 146.56 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 3.19 111.974 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.521 ' ND1' ' HB3' ' A' ' 243' ' ' ASN . 15.3 m-70 -105.51 168.26 9.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.875 -0.602 . . . . 1.68 110.215 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.653 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 97.6 m95 -140.23 158.96 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 5.75 111.156 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.54 113.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.86 -0.609 . . . . 3.04 112.21 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.3 m -85.7 -22.39 27.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.689 0.28 . . . . 4.29 111.326 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HG ' ' H ' ' A' ' 102' ' ' GLY . 21.0 tp -88.2 140.38 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 5.2 110.981 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.36 1.32 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 5.33 110.665 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.564 ' H ' ' HG ' ' A' ' 100' ' ' LEU . . . -117.11 -9.48 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.907 -0.663 . . . . 4.18 112.323 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -138.98 147.63 42.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 4.67 110.781 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.39 -61.86 0.12 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.8 -0.714 . . . . 1.95 112.548 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 63.6 m -109.13 163.67 13.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.599 0.238 . . . . 2.04 110.965 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.99 -77.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.447 -0.342 . . . . 2.64 111.174 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.0 166.57 22.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 2.11 111.099 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 113' ' ' LYS . 67.1 p -142.33 108.76 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 1.88 111.09 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.4 HG22 ' HE2' ' A' ' 114' ' ' TYR . 26.8 m -87.53 150.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.833 0.349 . . . . 2.24 110.991 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 t70 53.53 32.25 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 2.18 110.776 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 60.56 25.5 15.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.981 -0.554 . . . . 3.37 111.512 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -124.65 138.41 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 3.86 111.225 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 108' ' ' THR . 4.3 ttmp? -100.77 154.37 18.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.071 -0.513 . . . . 2.57 110.627 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HE2' HG22 ' A' ' 109' ' ' VAL . 84.5 m-85 -110.02 156.45 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 2.18 111.02 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.06 -21.29 20.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 1.72 111.935 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.01 144.81 28.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 1.55 111.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.485 ' H ' ' HB2' ' A' ' 96' ' ' HIS . 32.9 tt0 -152.65 133.32 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 2.4 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 145' ' ' ILE . 4.2 pp -86.96 148.03 25.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 2.07 110.907 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -120.07 99.88 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 1.71 111.254 -179.624 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' LEU . 2.8 tt -99.9 116.88 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 2.51 110.492 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.92 109.89 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.83 110.721 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 91' ' ' ILE . 18.8 p80 -126.94 150.89 49.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 2.43 110.886 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -131.85 152.44 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 3.95 110.996 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.476 ' HB3' ' HG2' ' A' ' 126' ' ' LYS . 2.2 m-20 -58.71 149.67 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.543 . . . . 2.19 111.135 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -81.62 -15.03 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.758 -0.655 . . . . 1.77 111.336 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 124' ' ' ASN . 21.4 ptmt -67.41 -36.16 80.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.437 -0.347 . . . . 3.65 111.033 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.4 ' C ' ' H ' ' A' ' 129' ' ' ASP . 61.2 m-85 -79.62 -29.71 41.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.366 -0.379 . . . . 4.38 110.673 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.21 -18.16 1.26 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.962 -0.637 . . . . 2.22 113.366 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.5 m-20 -142.02 145.31 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 3.07 111.051 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -67.38 -21.89 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.63 . . . . 3.08 110.825 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.66 -41.49 74.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 2.36 112.138 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -81.39 -17.51 48.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.021 0.438 . . . . 3.63 110.291 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.403 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -77.48 -44.95 27.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 1.73 111.049 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -0.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 2.3 111.436 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.47 -27.29 62.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 3.84 110.982 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -122.92 151.83 61.78 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 3.22 111.024 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.34 -50.65 9.19 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.381 2.054 . . . . 2.44 111.786 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.64 1.41 34.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 2.64 110.824 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -48.97 -58.46 7.72 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.862 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.21 153.95 51.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 1.76 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -121.52 165.23 15.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.094 -0.503 . . . . 0.98 110.93 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.42 117.93 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 1.3 111.724 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 209' ' ' ILE . 95.2 mt -86.19 116.92 24.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.331 -0.395 . . . . 2.1 110.342 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.96 111.92 1.06 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.487 -0.863 . . . . 1.4 112.769 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.633 HD12 HD21 ' A' ' 118' ' ' LEU . 59.6 mt -92.49 120.82 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.309 . . . . 1.53 110.908 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -73.48 90.74 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 4.48 110.725 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.32 135.67 47.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 3.25 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.56 ' HB3' HD12 ' A' ' 215' ' ' ILE . 27.6 tptp -131.27 146.01 52.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 4.32 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.5 t -81.13 117.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 3.13 111.037 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.49 69.68 0.07 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.756 -0.735 . . . . 3.15 112.781 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 217' ' ' VAL . 45.8 t -149.54 155.01 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 3.85 110.959 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.87 166.48 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.535 . . . . 3.82 111.095 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.472 ' HZ3' ' HA ' ' A' ' 157' ' ' GLN . 40.7 ttmt -104.98 136.44 19.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 5.19 110.711 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.43 18.23 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.408 2.072 . . . . 3.09 112.711 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 83.16 47.51 5.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 2.71 112.787 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.65 24.81 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.023 0.439 . . . . 3.94 110.411 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.472 ' HA ' ' HZ3' ' A' ' 153' ' ' LYS . 13.2 pt20 -59.16 -27.57 65.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.728 -0.669 . . . . 3.55 111.34 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -69.49 -33.73 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 4.82 110.896 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.3 -32.61 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 3.12 111.482 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.3 -19.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 3.14 111.276 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.8 -19.2 38.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 3.01 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 35.0 m -54.89 -17.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 2.46 112.243 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.5 -21.14 62.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 2.31 111.127 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.33 -14.32 4.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 2.42 110.631 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -86.24 -35.76 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 1.85 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.548 HG21 HD21 ' A' ' 61' ' ' ASN . 3.2 mp -106.13 51.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.976 0.417 . . . . 2.44 110.676 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.434 ' HA ' HD23 ' A' ' 228' ' ' LEU . 98.4 mttt -55.09 -48.4 73.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 3.75 110.577 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 53.3 p -101.23 161.14 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 2.36 110.599 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 169' ' ' LYS . 0.0 OUTLIER -78.82 147.86 33.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 3.46 110.582 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.52 -21.18 19.66 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.77 . . . . 2.2 112.638 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.445 ' HB3' HG23 ' A' ' 166' ' ' ILE . 56.1 tptt -88.04 142.08 28.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 3.33 110.404 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' SER . . . . . 0.422 ' OG ' HD13 ' A' ' 60' ' ' LEU . 1.6 m -96.98 171.27 8.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 2.27 110.779 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -151.94 134.68 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 1.89 111.175 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 157.86 37.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -48.12 138.24 9.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.972 -0.558 . . . . 4.47 111.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.1 t -145.65 -172.8 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 4.59 110.827 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.69 55.73 3.87 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.884 0.373 . . . . 6.35 111.036 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -96.06 109.54 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 4.67 110.812 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -149.9 83.22 6.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 3.92 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.33 -12.78 37.1 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.47 2.113 . . . . 4.59 112.76 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -71.78 -25.14 61.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 8.64 110.788 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -86.02 37.03 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 3.43 112.419 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.75 -15.4 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 5.71 110.603 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.65 128.94 80.76 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 4.53 110.551 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.32 136.82 10.21 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.4 2.067 . . . . 3.71 112.558 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.5 -12.01 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 6.38 110.62 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 78.4 p -155.89 159.18 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 5.07 110.692 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 46' ' ' PRO . 38.9 tp -130.66 100.84 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 4.32 111.039 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -174.02 163.42 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 3.78 110.726 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -139.8 179.9 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.395 . . . . 3.36 110.763 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.497 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 12.7 t-105 -166.3 132.82 2.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 4.16 110.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.0 t -136.15 145.34 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 1.5 111.679 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 193' ' ' TYR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 194' ' ' PRO . 80.7 t80 -158.98 88.74 2.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.992 -0.549 . . . . 2.91 110.557 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 193' ' ' TYR . 10.9 Cg_endo -54.23 149.12 37.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.641 2.227 . . . . 1.48 112.44 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -149.71 174.43 29.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.885 -0.674 . . . . 1.64 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.953 0.406 . . . . 2.75 110.984 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.98 0.419 . . . . 5.02 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.0 86.27 7.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.956 -0.565 . . . . 3.98 110.543 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 86.3 m -135.41 23.03 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 2.48 110.871 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.49 126.2 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.571 . . . . 1.8 111.163 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 13.5 m -113.25 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.403 -0.362 . . . . 1.27 110.801 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -98.06 108.12 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 2.43 111.095 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.566 ' HB ' HD23 ' A' ' 143' ' ' LEU . 4.1 mm -108.23 157.47 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.847 -0.615 . . . . 1.45 110.887 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 57.0 t -127.0 99.28 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 2.12 110.982 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 145' ' ' ILE . 96.5 mt -63.92 167.98 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 3.85 111.204 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -88.03 -6.69 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 5.85 111.036 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.489 ' HB3' HD13 ' A' ' 145' ' ' ILE . 14.7 tp10 -57.55 134.89 82.22 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.265 -0.425 . . . . 5.91 110.866 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 214' ' ' PRO . . . . . 0.424 ' HD2' ' OE1' ' A' ' 213' ' ' GLU . 14.5 Cg_endo -56.52 150.27 52.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.663 2.242 . . . . 3.58 112.624 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 215' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 148' ' ' LYS . 28.9 pt -86.23 172.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 4.42 111.272 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 47.6 t -47.75 172.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.072 -0.513 . . . . 3.53 111.847 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' ' HB3' ' A' ' 151' ' ' SER . 26.9 m -98.82 177.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 2.45 111.538 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 42.4 t -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 3.39 111.104 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.5 p -67.99 -16.66 64.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 2.82 110.579 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -85.9 -22.13 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 4.51 110.384 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.26 -15.43 35.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 3.92 111.298 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.631 ' HB ' ' HB2' ' A' ' 225' ' ' PHE . 34.9 m -89.1 30.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.513 -0.312 . . . . 2.44 111.734 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.22 -43.66 83.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.861 0.362 . . . . 2.8 110.897 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 3.78 110.786 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 225' ' ' PHE . . . . . 0.631 ' HB2' ' HB ' ' A' ' 222' ' ' VAL . 48.3 m-85 -70.47 -17.43 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 3.33 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.51 -11.18 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.82 110.975 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -86.54 -3.84 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.908 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 167' ' ' LYS . 97.7 mt -93.44 162.04 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.519 . . . . 2.93 111.335 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.83 -159.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 2.92 110.494 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 239' ' ' LEU . 7.4 m-85 -47.67 -28.63 2.5 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.701 0.26 . . . . 5.3 111.701 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 111.889 0.329 . . . . 4.3 111.889 -179.42 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 230' ' ' PHE . 90.7 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.655 0.264 . . . . 5.11 110.801 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -85.65 -12.63 50.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.926 0.394 . . . . 5.21 110.787 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.9 146.78 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.937 -0.574 . . . . 3.44 111.119 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.58 -40.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 3.67 110.424 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.653 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 10.7 m120 -100.2 55.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 3.74 110.686 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -96.99 144.14 27.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 3.25 111.116 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -141.16 118.36 7.69 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.808 -0.633 . . . . 3.78 110.992 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.44 169.63 18.07 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.29 1.994 . . . . 2.43 112.217 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -146.58 161.9 39.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.392 . . . . 3.18 111.601 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.72 143.64 41.24 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.074 -0.512 . . . . 5.35 110.665 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.49 123.74 3.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.533 2.155 . . . . 4.02 112.634 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 31' ' ' VAL . 48.6 tp -80.27 -43.61 21.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.94 110.973 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm 69.91 9.04 6.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.685 -0.689 . . . . 6.83 110.825 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -139.46 176.58 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 5.02 111.005 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 65.37 145.25 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.034 -0.53 . . . . 5.82 111.653 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -102.97 152.53 21.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.863 -0.608 . . . . 3.22 110.719 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.498 HG13 HG23 ' A' ' 33' ' ' ILE . 2.5 mm -90.73 146.27 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 2.02 111.174 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -125.81 89.34 3.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.66 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.14 173.98 6.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 1.46 111.489 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.3 t -78.66 -39.47 36.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 2.32 110.566 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.74 138.68 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 3.3 110.669 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 260' ' ' LYS . . . . . 0.413 ' N ' ' HB3' ' A' ' 40' ' ' TYR . 17.3 ptpt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.086 -0.959 . . . . 4.59 111.369 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.568 0.223 . . . . 3.57 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.412 ' HG3' ' O ' ' A' ' 246' ' ' PRO . 74.4 Cg_endo -76.01 132.75 14.41 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.472 2.115 . . . . 2.88 112.091 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.87 141.27 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 2.26 110.762 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 6.7 p-10 -92.57 99.04 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 2.44 111.028 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD13 ' A' ' 255' ' ' ILE . 3.9 mp -80.63 127.31 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.514 . . . . 1.53 110.758 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' HG22 ' A' ' 37' ' ' THR . 7.0 m-20 -112.15 129.56 56.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.51 111.016 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p -56.75 -26.34 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.615 -0.721 . . . . 1.95 111.594 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.48 -40.75 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 3.43 110.982 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 34' ' ' ASP . 11.7 t -87.04 -10.1 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 1.73 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 255' ' ' ILE . . . -62.6 157.34 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 1.29 111.048 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -140.69 118.37 11.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 3.53 111.025 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -72.28 136.36 46.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 4.17 110.623 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -115.96 94.33 41.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 3.04 111.167 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.22 27.63 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.448 2.099 . . . . 2.3 112.239 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -79.03 -0.11 29.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 3.07 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.4 pt? -142.07 139.87 32.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 3.08 110.76 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 24.7 mtpp -91.08 157.01 43.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 4.28 110.621 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 11.3 Cg_endo -54.74 157.68 12.16 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.486 2.124 . . . . 2.41 112.333 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.548 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.0 pt? -125.66 134.52 51.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 5.24 111.074 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.3 m -80.54 151.85 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.968 -0.56 . . . . 2.67 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.31 143.44 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 2.44 111.139 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -113.45 136.34 52.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 2.58 110.949 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -165.59 33.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 4.87 111.304 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.81 -23.33 31.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 4.17 110.258 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -95.64 -12.12 26.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.738 -0.664 . . . . 4.62 110.625 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -48.91 120.52 3.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.207 -0.451 . . . . 1.97 111.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -90.85 128.95 36.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 1.9 111.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -170.75 105.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 1.87 110.38 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.6 mp -102.09 -39.14 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.62 -0.264 . . . . 3.58 111.247 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 20.7 tpt180 -176.37 165.35 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 4.62 110.758 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 42.4 pt -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 1.72 110.938 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.8 tp -92.63 147.35 22.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 2.58 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.18 157.06 16.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 1.94 110.62 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -106.3 17.59 23.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 3.13 111.491 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.13 0.51 61.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 2.64 111.961 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -137.44 -58.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 4.34 110.406 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.9 149.41 36.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 2.12 110.671 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.442 ' H ' ' HE1' ' A' ' 95' ' ' PHE . 37.1 p90 -126.21 138.22 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.041 0.448 . . . . 3.39 111.452 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -121.64 153.05 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 2.57 110.078 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 59' ' ' ILE . 29.9 m -91.24 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 1.95 111.292 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.42 107.19 8.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 3.84 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -93.37 141.64 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 4.12 110.629 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.04 136.55 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 3.04 110.578 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -132.36 23.43 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 3.88 110.821 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.1 p -59.02 -39.43 81.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 3.2 111.306 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -135.25 28.9 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 4.06 111.512 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 59.13 88.39 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 2.84 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.631 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 47.3 mmtm -73.85 -73.84 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 3.26 110.995 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -101.09 152.62 20.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.322 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 79' ' ' LEU . 8.9 p -146.51 165.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 1.72 110.717 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 78' ' ' VAL . 19.8 tp -134.52 122.08 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.525 -0.307 . . . . 2.3 110.736 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.626 ' HD2' ' HB ' ' A' ' 87' ' ' THR . 82.6 tttt -159.31 138.43 11.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 2.67 111.06 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 47' ' ' LEU . . . 175.6 -155.09 19.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.822 -0.704 . . . . 2.5 112.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.79 -158.19 8.31 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.743 -0.741 . . . . 2.63 112.761 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.6 -41.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.685 2.257 . . . . 4.13 112.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.15 156.26 15.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 3.0 111.19 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.72 18.83 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 5.04 110.707 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.96 82.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 1.92 112.259 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.626 ' HB ' ' HD2' ' A' ' 80' ' ' LYS . 9.8 t -57.98 136.96 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 1.68 111.436 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.604 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 77.6 m-85 -111.42 131.24 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 3.43 110.678 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 122' ' ' HIS . 16.7 ptm180 -97.81 144.37 27.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 3.79 110.834 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.836 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.7 pt? -100.09 142.89 30.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 2.52 110.598 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.572 HD13 HG23 ' A' ' 121' ' ' VAL . 3.9 mp -113.78 -70.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 2.47 111.493 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.11 172.17 18.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.76 0.314 . . . . 2.41 111.109 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 33.7 p90 -152.95 159.25 42.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 1.57 111.355 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 4.5 p-80 -128.3 166.17 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.736 -0.666 . . . . 1.29 110.18 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.442 ' HE1' ' H ' ' A' ' 66' ' ' PHE . 32.5 p90 -111.25 150.15 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 3.19 110.38 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -96.31 145.95 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 1.68 110.961 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 241' ' ' VAL . 7.3 m-90 -63.37 136.93 57.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 5.75 111.087 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 241' ' ' VAL . . . 179.59 108.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.96 -0.638 . . . . 3.04 112.25 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.621 ' H ' HG11 ' A' ' 241' ' ' VAL . 47.0 t -91.97 -35.27 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 4.29 111.075 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.7 mt -88.73 150.95 22.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 5.2 111.129 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -93.65 -0.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 5.33 110.855 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.83 -17.02 36.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.784 -0.722 . . . . 4.18 111.94 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.502 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 3.8 pt20 -139.45 148.17 42.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.681 0.277 . . . . 4.67 110.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.68 -60.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.524 -0.846 . . . . 1.95 112.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -80.8 168.75 18.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 2.04 111.11 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.68 16.92 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 2.64 110.927 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 50.0 m80 -143.52 169.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 2.11 110.618 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 42.8 m -137.26 80.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 1.88 111.318 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 26.0 m -84.66 148.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.521 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 32.74 21.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 2.18 110.404 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 59.35 22.5 10.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.062 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -136.36 151.68 49.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 3.86 110.807 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.8 ttmp? -114.79 133.7 55.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 2.57 110.55 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -71.72 166.5 21.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.852 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.37 -28.09 22.4 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 1.72 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -175.4 176.23 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 1.55 110.822 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.35 152.84 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 2.4 111.104 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 145' ' ' ILE . 67.4 mt -88.89 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 2.07 111.086 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -102.42 95.42 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 1.71 111.259 -179.699 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 143' ' ' LEU . 40.9 tp -102.34 136.26 42.49 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.194 -0.298 . . . . 2.51 110.194 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HD13 ' A' ' 91' ' ' ILE . 22.1 m -112.4 147.56 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 1.83 111.73 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 31.8 m-70 -131.69 152.65 50.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 2.43 110.677 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -137.85 149.63 46.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.076 0.465 . . . . 3.95 111.096 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -76.09 111.83 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.708 -0.678 . . . . 2.19 110.529 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 t -84.67 -14.98 46.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.293 -0.412 . . . . 1.77 111.958 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -63.27 -32.23 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 3.65 110.854 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.09 -17.06 47.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 4.38 111.148 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.17 -26.41 19.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 2.22 113.17 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -143.25 146.83 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 3.07 111.233 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 134' ' ' VAL . 42.5 p90 -65.26 -21.27 66.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 3.08 110.79 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.05 95.96 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.512 -0.852 . . . . 2.36 111.768 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.72 -17.32 59.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 3.63 110.246 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.29 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 1.73 110.446 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 130' ' ' PHE . 8.5 t -77.14 -2.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 2.3 110.67 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -72.1 -15.43 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.84 110.764 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -147.43 152.98 43.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.22 110.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.67 -10.83 29.62 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.552 2.168 . . . . 2.44 112.573 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.06 9.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 2.64 110.778 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.55 -16.32 40.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.816 -0.706 . . . . 1.49 112.308 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.1 pt? -140.14 126.22 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 1.76 110.825 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.36 160.71 24.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.98 111.006 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.72 112.16 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.3 111.242 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.588 ' HB3' HD23 ' A' ' 120' ' ' LEU . 50.8 tp -90.24 144.35 25.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 2.1 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -120.82 125.95 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.937 -0.649 . . . . 1.4 112.221 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.531 ' HB ' HD12 ' A' ' 118' ' ' LEU . 63.5 mt -119.17 140.07 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 1.53 111.223 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.9 82.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.981 -0.554 . . . . 4.48 111.204 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 3.25 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -112.45 156.49 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 4.32 110.826 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.23 126.09 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 3.13 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.401 ' HA2' HG21 ' A' ' 222' ' ' VAL . . . -176.33 -102.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.421 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 217' ' ' VAL . 26.4 t -160.42 -177.43 6.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.756 0.312 . . . . 3.85 110.898 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.27 -52.69 5.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 3.82 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 156' ' ' LEU . 8.8 ptpp? -106.3 151.4 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 5.19 111.058 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.71 1.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.684 2.256 . . . . 3.09 112.474 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.7 -48.66 3.37 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.722 -0.751 . . . . 2.71 112.831 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.408 ' H ' ' HG3' ' A' ' 153' ' ' LYS . 65.4 mt 60.69 29.08 18.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.359 . . . . 3.94 110.904 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -73.26 -56.99 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 3.55 110.76 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -71.45 -20.65 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 4.82 110.736 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.99 -22.85 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 3.12 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.49 -37.38 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 3.14 111.08 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.74 -47.1 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 3.01 110.993 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 166' ' ' ILE . 27.7 m -76.03 -26.26 17.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 2.46 111.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 164' ' ' ASP . 2.5 tt -65.4 -52.8 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 2.31 111.234 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.428 ' N ' HD23 ' A' ' 163' ' ' LEU . 17.7 t70 -54.93 -17.66 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 2.42 110.592 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.6 t -85.81 -42.17 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 1.85 110.526 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 173' ' ' ALA . 23.6 pt -94.14 45.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 2.44 111.236 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.64 -48.44 66.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 3.75 110.711 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.8 p -107.79 148.42 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.763 -0.653 . . . . 2.36 110.626 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -63.48 139.24 58.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.742 0.306 . . . . 3.46 110.583 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 102.39 2.23 50.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.811 -0.709 . . . . 2.2 112.587 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -109.57 152.04 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 3.33 111.007 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.6 p -105.35 162.57 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 2.27 110.612 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.546 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -129.08 130.51 46.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 1.89 111.149 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.39 114.64 3.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.435 -0.348 . . . . 3.74 110.982 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -154.63 139.64 17.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 4.47 110.754 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 t -160.36 -173.86 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 4.59 110.751 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 54.35 56.74 6.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.056 0.455 . . . . 6.35 110.695 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -87.42 143.93 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 4.67 111.038 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.46 89.67 13.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.537 . . . . 3.92 111.042 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' PRO . . . . . 0.476 ' HA ' HD23 ' A' ' 183' ' ' LEU . 72.8 Cg_endo -76.98 -8.09 17.62 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.501 2.134 . . . . 4.59 112.561 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.06 -19.36 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 8.64 110.783 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -76.5 -11.18 85.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 3.43 112.544 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 180' ' ' PRO . 3.7 mm? -85.83 18.21 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 5.71 110.583 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.497 HD12 ' HD2' ' A' ' 185' ' ' PRO . 51.9 tp -64.84 117.25 36.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 4.53 111.112 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' PRO . . . . . 0.497 ' HD2' HD12 ' A' ' 184' ' ' LEU . 89.3 Cg_endo -80.8 133.84 9.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.506 2.137 . . . . 3.71 112.456 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.68 -10.62 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 6.38 110.849 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.9 m -121.61 156.53 32.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 5.07 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.28 144.34 44.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 4.32 111.0 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -176.7 144.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.514 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 258' ' ' SER . 84.5 m-85 -135.04 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 3.36 110.724 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.731 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 74.5 t90 -176.24 114.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 4.16 110.23 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.5 t -129.16 163.95 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 1.5 111.5 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -146.73 75.62 12.0 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 2.91 110.671 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.78 136.56 6.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.661 2.241 . . . . 1.48 112.307 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 153.31 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.654 -0.784 . . . . 1.64 112.671 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 196' ' ' SER . . . . . 0.608 ' HA ' HD13 ' A' ' 203' ' ' LEU . 77.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 2.75 111.256 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.608 HD13 ' HA ' ' A' ' 196' ' ' SER . 2.1 pp . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.819 0.342 . . . . 5.02 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 204' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 204' ' ' GLU . 0.0 OUTLIER -83.77 3.16 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 3.98 111.012 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.7 m -148.01 47.58 1.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 2.48 111.52 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.35 122.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.94 0.4 . . . . 1.8 111.718 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 91.6 m -113.3 140.56 47.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 1.27 110.438 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -100.64 115.54 30.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 2.43 110.966 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -117.21 155.2 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 1.45 110.741 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 209' ' ' ILE . 33.8 m -109.37 139.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 2.12 110.853 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 15.5 tp -69.73 132.78 46.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 3.85 110.834 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -71.33 -9.95 58.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.248 -0.433 . . . . 5.85 111.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.421 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 17.4 mm-40 -70.67 162.18 72.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 5.91 110.759 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 214' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 185' ' ' PRO . 78.7 Cg_exo -48.1 142.49 15.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.397 2.065 . . . . 3.58 112.507 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 20.0 mt -79.92 149.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 4.42 111.44 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 40.8 t -65.18 173.21 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 3.53 110.718 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 151' ' ' SER . 31.2 m -99.04 177.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 2.45 110.76 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.0 t -102.72 170.8 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 3.39 111.554 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 45.0 t -52.59 -37.99 59.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 2.82 110.903 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.74 -29.5 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 4.51 111.265 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.98 -21.37 24.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 3.92 111.347 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 18.2 m -117.04 31.06 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.676 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.54 -28.13 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 2.8 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 34.8 mtmm -86.46 -22.88 26.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.78 111.133 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 225' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 78.4 t80 -84.07 -29.81 26.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 3.33 110.945 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 226' ' ' ARG . 2.8 mmp_? -69.62 -1.05 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 4.82 111.611 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 227' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 96.1 mttt -69.91 -8.86 52.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.702 0.287 . . . . 3.25 111.099 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.13 161.92 6.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.411 . . . . 2.93 111.127 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -93.27 139.87 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 2.92 111.047 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -89.5 3.46 52.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 5.3 110.851 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 4.3 110.6 -179.517 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 242' ' ' ASP . 61.0 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.599 0.238 . . . . 5.11 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 61.8 mtt -47.12 -64.12 0.86 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.19 -0.459 . . . . 5.21 111.007 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 99' ' ' SER . 2.3 p -141.47 144.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 3.44 111.434 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.441 ' HB3' HD23 ' A' ' 239' ' ' LEU . 5.1 p-10 -162.76 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.704 . . . . 3.67 110.081 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.51 56.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 3.74 110.692 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -97.0 167.9 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 3.25 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -136.74 158.11 73.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 3.78 111.086 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' PRO . 50.3 Cg_exo -54.37 173.13 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.478 2.119 . . . . 2.43 112.465 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -145.13 31.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.18 110.97 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -69.01 119.27 68.76 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.162 -0.472 . . . . 5.35 110.955 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.57 136.5 21.46 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.369 2.046 . . . . 4.02 112.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 49.7 mt -80.17 -48.92 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 3.94 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -177.0 -63.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 6.83 110.542 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -168.88 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 5.02 110.666 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 60.59 158.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.115 0.483 . . . . 5.82 111.634 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -108.68 143.23 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 3.22 110.481 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 38' ' ' ALA . 10.8 tp -92.28 144.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 2.02 111.429 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -112.77 73.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 2.91 110.402 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.83 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 1.46 111.13 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 190' ' ' TYR . 48.5 t -76.85 -43.32 36.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.11 -0.495 . . . . 2.32 110.287 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -112.91 176.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 3.3 111.169 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 4.59 111.075 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.299 0.095 . . . . 3.57 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.21 135.64 65.48 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.385 2.057 . . . . 2.88 112.227 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.08 163.45 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.212 -0.449 . . . . 2.26 110.696 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.73 98.74 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 2.44 111.025 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -78.0 125.9 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 1.53 110.748 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB2' HG22 ' A' ' 37' ' ' THR . 1.4 m-20 -112.74 127.47 56.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.51 111.04 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.6 m -80.24 -26.16 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 1.95 110.628 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.94 -40.89 83.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 3.43 111.01 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 255' ' ' ILE . 11.6 t -81.23 -14.8 57.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.73 111.051 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 157.46 27.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 1.29 111.116 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -125.97 120.78 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 3.53 110.948 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -57.1 123.51 15.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 4.17 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -119.63 95.42 49.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 3.04 110.944 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 -6.76 16.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.394 2.063 . . . . 2.3 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.8 m -60.85 -45.57 94.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 3.07 110.907 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -72.46 133.22 44.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 3.08 110.855 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.85 152.21 50.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 4.28 110.718 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.6 127.81 22.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.542 2.161 . . . . 2.41 112.366 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 pp -62.02 172.99 1.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 5.24 111.288 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 60.7 m -135.53 150.45 49.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 2.67 110.772 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.78 137.75 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 2.44 111.388 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' VAL . 53.2 m -113.54 145.68 40.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 2.58 110.96 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -166.46 57.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 4.87 110.882 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.86 -42.49 14.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.563 . . . . 4.17 109.827 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.91 -3.75 31.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 4.62 110.357 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -51.08 121.05 5.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.479 . . . . 1.97 111.194 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 m -149.68 142.29 24.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.9 111.267 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -86.89 149.79 24.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.057 -0.519 . . . . 1.87 110.37 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 tp -117.91 -38.86 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 3.58 111.825 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -167.76 162.69 13.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.347 . . . . 4.62 111.279 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' O ' HG13 ' A' ' 59' ' ' ILE . 23.4 pt -128.96 104.58 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.119 -0.491 . . . . 1.72 111.04 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.522 ' C ' HD21 ' A' ' 61' ' ' ASN . 54.9 tp -113.34 153.68 28.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.181 -0.463 . . . . 2.58 111.403 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.657 ' N ' HD21 ' A' ' 61' ' ' ASN . 0.5 OUTLIER -110.93 162.14 15.13 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.909 -0.587 . . . . 1.94 110.684 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.82 15.35 25.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.832 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 14.29 61.47 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.507 -0.854 . . . . 2.64 112.562 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 12.7 p80 -175.23 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 4.34 110.303 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 137.19 53.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 2.12 109.766 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' HIS . 37.7 p90 -120.1 133.79 55.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 3.39 111.114 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 1.5 m-20 -109.01 101.3 10.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.92 -0.582 . . . . 2.57 110.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' A' ' 59' ' ' ILE . 24.9 m -119.24 147.28 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.95 111.412 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -175.07 -96.04 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.294 -0.412 . . . . 3.84 110.934 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -138.06 175.36 9.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.697 0.284 . . . . 4.12 110.728 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -67.69 135.62 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 3.04 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.24 -11.15 24.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 3.88 110.965 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 t -54.9 -40.2 69.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 3.2 110.987 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -126.0 173.69 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 4.06 110.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.52 51.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 2.84 111.07 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 6.2 ptpp? -69.52 -7.03 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.062 -0.517 . . . . 3.26 110.968 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -155.36 120.2 4.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.136 -0.484 . . . . 1.42 110.995 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 50' ' ' SER . 32.6 m -121.53 167.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 1.72 111.021 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 tt -142.55 141.52 32.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 2.3 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HB2' ' H ' ' A' ' 48' ' ' SER . 96.8 mttt -117.1 168.99 9.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 2.67 110.556 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.76 30.53 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 2.5 112.642 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -165.34 30.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.762 -0.732 . . . . 2.63 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.01 -10.23 27.88 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.523 2.149 . . . . 4.13 112.376 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.37 149.47 42.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 3.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -91.17 0.26 57.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 5.04 110.771 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.89 72.5 2.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.721 . . . . 1.92 112.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -66.32 129.35 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 1.68 111.795 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.501 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 48.1 m-85 -92.79 120.56 33.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 3.43 110.171 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 125' ' ' THR . 56.2 ttp180 -66.37 136.68 56.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.318 . . . . 3.79 111.14 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.42 139.85 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.52 110.368 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -80.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.46 -0.336 . . . . 2.47 111.73 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -151.01 171.15 17.76 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.639 0.257 . . . . 2.41 110.907 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 31.3 p90 -138.64 144.92 39.9 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.977 0.418 . . . . 1.57 111.262 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.566 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.4 p-80 -117.66 168.07 10.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.804 -0.634 . . . . 1.29 110.732 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -120.61 154.12 35.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.958 0.409 . . . . 3.19 111.91 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -112.06 161.97 15.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.855 -0.611 . . . . 1.68 110.445 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.406 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 21.9 m-90 -140.56 109.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.701 0.286 . . . . 5.75 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 151.81 36.66 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.67 -0.776 . . . . 3.04 112.68 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.474 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 85.1 p -72.47 -15.51 61.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.824 0.345 . . . . 4.29 110.869 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.69 137.07 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 5.2 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.22 17.02 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 5.33 110.938 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.98 -42.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.301 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.1 pt20 -167.86 143.22 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 4.67 110.861 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.96 58.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 1.95 112.582 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 t -104.81 151.59 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.635 0.255 . . . . 2.04 110.782 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.42 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.64 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -85.46 168.29 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 2.11 110.767 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.4 p -139.49 108.18 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 1.88 111.008 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.421 HG12 ' HB ' ' A' ' 33' ' ' ILE . 32.6 m -93.13 156.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 2.24 111.265 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 4.4 m-20 54.81 30.6 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.824 -0.625 . . . . 2.18 111.18 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 58.79 22.62 10.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 3.37 111.155 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 75.8 mmtt -126.08 149.09 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 3.86 110.804 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.78 150.65 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 2.57 110.955 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.27 171.88 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 2.18 110.44 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -61.65 -54.16 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 1.72 111.037 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.61 -179.58 7.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 1.55 110.726 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -152.51 134.0 14.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 2.4 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 147' ' ' LEU . 3.5 pp -86.85 147.73 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 2.07 110.292 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.566 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 8.4 m170 -117.82 121.53 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 1.71 111.816 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 143' ' ' LEU . 1.1 mp -105.82 142.85 34.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 2.51 110.481 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 t -111.37 138.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 1.83 111.071 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 74.0 m80 -131.8 132.94 44.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 2.43 111.002 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -129.78 139.76 51.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 3.95 110.676 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -56.35 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.867 -0.606 . . . . 2.19 111.27 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 89' ' ' ARG . 4.2 t -74.57 -15.08 60.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 1.77 110.707 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -57.5 -33.38 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 3.65 110.651 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -89.4 -20.96 23.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 4.38 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.4 -12.25 51.99 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 2.22 112.267 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -141.59 145.47 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 3.07 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -72.53 -19.36 61.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 3.08 110.858 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -54.69 -42.39 77.57 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.766 -0.731 . . . . 2.36 112.471 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.87 -17.35 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 3.63 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.56 67.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 1.73 110.856 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.686 ' HA ' HD22 ' A' ' 140' ' ' LEU . 19.3 m -75.32 -7.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 2.3 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -82.11 8.74 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 3.84 111.308 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 139' ' ' GLY . 3.7 pt20 -158.98 140.47 9.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.473 -0.331 . . . . 3.22 110.878 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 31.1 Cg_exo -61.63 -19.87 66.63 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.533 2.156 . . . . 2.44 112.161 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -102.58 22.07 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 2.64 110.944 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 136' ' ' GLN . . . -108.65 -17.62 10.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.843 -0.694 . . . . 1.49 112.423 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 134' ' ' VAL . 1.6 pt? -139.64 128.17 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 1.76 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.38 122.08 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.98 110.844 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -94.21 108.7 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.3 111.172 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 211' ' ' LEU . 20.4 tp -85.99 144.41 27.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 2.1 110.439 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.69 132.8 6.75 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.515 -0.85 . . . . 1.4 113.03 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.482 HD12 HD11 ' A' ' 118' ' ' LEU . 68.0 mt -128.81 110.18 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 1.53 110.813 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -63.63 159.45 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 4.48 110.789 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 118' ' ' LEU . 89.8 mt -132.66 125.1 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.868 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -116.77 143.78 45.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 4.32 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.6 t -93.73 147.44 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 3.13 110.921 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.73 19.35 9.25 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.722 -0.752 . . . . 3.15 112.648 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.5 m -122.72 107.03 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 3.85 110.843 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.509 ' HA ' ' HB3' ' A' ' 218' ' ' SER . . . -59.35 137.66 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 3.82 111.13 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 156' ' ' LEU . 17.1 pttp -68.08 134.53 91.64 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.233 -0.44 . . . . 5.19 110.746 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 26.8 Cg_exo -62.87 -0.49 2.09 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.526 2.151 . . . . 3.09 112.368 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 133.76 62.21 0.07 OUTLIER Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.829 -0.7 . . . . 2.71 112.424 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 153' ' ' LYS . 8.4 mp -114.86 26.16 10.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.759 0.314 . . . . 3.94 110.781 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -47.92 -46.16 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 3.55 111.177 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -54.84 -44.21 73.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 4.82 111.315 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.15 -26.93 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 3.12 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.98 -31.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 3.14 111.223 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.76 -42.34 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 3.01 110.784 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.88 -23.36 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 2.46 111.143 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 164' ' ' ASP . 4.1 tt -69.28 -53.85 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 2.31 111.309 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.425 ' N ' HD23 ' A' ' 163' ' ' LEU . 21.1 t70 -56.34 -13.06 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 2.42 110.988 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 34.3 t -84.76 -44.01 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 1.85 111.425 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.515 HG22 ' CB ' ' A' ' 171' ' ' LYS . 1.6 pp -130.22 47.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.966 0.412 . . . . 2.44 111.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -66.97 -47.83 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 3.75 111.588 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 40.1 p -72.62 151.94 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.378 . . . . 2.36 111.522 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.431 ' HE2' HD13 ' A' ' 228' ' ' LEU . 4.9 mptp? -72.28 148.05 45.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 3.46 111.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.43 -21.11 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.866 -0.683 . . . . 2.2 112.39 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.515 ' CB ' HG22 ' A' ' 166' ' ' ILE . 59.1 mttp -109.08 177.15 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 3.33 111.115 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -160.93 169.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.83 -0.623 . . . . 2.27 110.516 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -153.65 140.34 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.723 0.297 . . . . 1.89 111.287 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -87.38 130.41 34.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.315 -0.402 . . . . 3.74 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -145.74 104.97 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.306 -0.406 . . . . 4.47 110.734 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 35.3 p -107.84 -172.91 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 4.59 111.403 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.49 56.83 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.566 . . . . 6.35 111.058 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 180' ' ' PRO . 68.4 t80 -93.86 150.99 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 4.67 110.673 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -114.11 85.44 10.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 3.92 111.243 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' PRO . . . . . 0.578 ' HA ' HD13 ' A' ' 183' ' ' LEU . 14.9 Cg_exo -68.66 -8.05 22.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.617 2.211 . . . . 4.59 112.326 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.31 -36.93 83.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 8.64 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -71.41 -14.47 74.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.636 -0.793 . . . . 3.43 112.506 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 180' ' ' PRO . 6.7 mp -94.69 19.07 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.563 0.22 . . . . 5.71 110.987 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 pp -49.59 133.5 19.32 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.299 -0.409 . . . . 4.53 111.113 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.41 162.16 19.67 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.71 2.274 . . . . 3.71 112.557 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.8 -21.43 61.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 6.38 111.032 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.5 m 52.45 78.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 5.07 111.111 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.464 ' HB2' ' HG2' ' A' ' 212' ' ' LYS . 11.5 mt -150.77 -177.79 6.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 4.32 111.112 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.409 ' HB2' ' HD2' ' A' ' 259' ' ' PHE . 9.2 m-20 -54.39 166.76 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 3.78 110.796 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 258' ' ' SER . 36.9 p90 -166.75 139.99 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 3.36 110.67 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.623 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 43.6 p90 -76.81 152.15 35.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 4.16 110.761 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.1 t -135.12 170.52 15.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 1.5 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 193' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 208' ' ' TRP . 82.5 t80 -169.61 130.9 1.02 Allowed Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.041 -0.527 . . . . 2.91 110.372 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.03 127.57 26.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.198 1.932 . . . . 1.48 112.292 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 195' ' ' GLY . . . . . 0.534 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -93.65 10.16 72.91 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.729 -0.748 . . . . 1.64 112.507 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 196' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 204' ' ' GLU . 79.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.565 0.222 . . . . 2.75 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.073 0.463 . . . . 5.02 110.83 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 204' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 196' ' ' SER . 47.0 mt-10 -91.84 20.28 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 3.98 110.807 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.19 15.83 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 2.48 110.446 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.71 132.46 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.748 -0.66 . . . . 1.8 110.985 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.534 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 27.7 m -113.59 149.18 34.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.541 -0.299 . . . . 1.27 110.88 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 208' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' TYR . 50.5 t-105 -111.26 108.76 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 2.43 110.854 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -131.78 155.44 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 1.45 110.891 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.41 HG21 ' NE1' ' A' ' 191' ' ' TRP . 35.3 m -128.35 145.49 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 2.12 111.292 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.54 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 29.1 tp -94.22 147.62 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 3.85 110.764 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 188' ' ' LEU . 22.8 tptm -66.59 -20.1 65.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 5.85 111.16 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.54 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 40.7 tt0 -57.08 110.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 5.91 110.674 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.99 130.31 4.86 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.543 2.162 . . . . 3.58 112.85 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 44.0 mm -130.91 120.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 4.42 110.365 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 60.0 m -136.9 151.37 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 3.53 111.305 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.48 155.29 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 2.45 110.602 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.509 ' HB3' ' HA ' ' A' ' 152' ' ' ALA . 92.4 p -89.89 148.45 23.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 3.39 110.738 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.413 ' O ' HG12 ' A' ' 222' ' ' VAL . 49.2 m -62.58 -15.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 2.82 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.42 -31.27 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 4.51 111.201 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -87.88 -15.34 36.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 3.92 112.013 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.424 HG13 HD22 ' A' ' 223' ' ' LEU . 14.5 p -74.11 -27.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 2.44 110.952 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 222' ' ' VAL . 4.2 mm? -65.04 -22.12 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 2.8 110.434 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -84.72 -31.72 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 3.78 110.754 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -71.8 -24.06 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 3.33 110.841 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -84.63 -1.08 55.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.992 -0.549 . . . . 4.82 111.062 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.103 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.431 HD13 ' HE2' ' A' ' 169' ' ' LYS . 4.2 pp -74.93 162.03 28.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 2.93 110.796 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -109.07 160.95 15.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 2.92 110.979 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 64.8 t80 -53.15 -47.56 68.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.837 0.351 . . . . 5.3 110.446 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 4.3 110.805 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.3 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.339 . . . . 5.11 111.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 15.6 ptm -62.25 -26.05 68.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 5.21 110.816 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 34.3 m -88.96 -171.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.559 -0.746 . . . . 3.44 111.141 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 241' ' ' VAL . 25.5 t70 78.73 33.98 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.979 -0.555 . . . . 3.67 110.598 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.406 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 2.2 m-20 -112.0 39.59 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.651 -0.704 . . . . 3.74 110.364 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -106.01 150.95 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.684 . . . . 3.25 110.968 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 25.3 mmm180 -123.52 128.39 25.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.954 -0.566 . . . . 3.78 110.705 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 21.5 Cg_exo -66.23 143.11 69.64 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.563 2.175 . . . . 2.43 112.461 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -99.11 173.51 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 3.18 110.916 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 248' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 12.1 pt20 -136.31 137.61 24.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.373 -0.376 . . . . 5.35 111.047 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 249' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 13.3 Cg_exo -69.53 125.8 12.7 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.681 2.254 . . . . 4.02 112.245 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 250' ' ' LEU . 0.3 OUTLIER -80.08 -41.87 24.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 3.94 111.139 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 56.38 21.22 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 6.83 109.952 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.15 -174.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.551 -0.75 . . . . 5.02 110.753 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -71.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 5.82 110.945 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -133.32 154.4 50.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 3.22 110.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.64 HG22 HG23 ' A' ' 37' ' ' THR . 17.7 tt -111.93 131.65 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 2.02 111.04 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -70.25 118.73 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 2.91 110.739 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -150.78 140.72 21.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 1.46 111.224 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.9 t -79.3 -8.05 58.76 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.143 0.497 . . . . 2.32 109.987 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.409 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 88.6 t80 -111.71 137.84 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.452 -0.795 . . . . 3.3 110.478 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.384 -0.817 . . . . 4.59 111.2 179.855 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.458 0.171 . . . . 3.57 111.094 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.88 156.66 52.45 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.645 2.23 . . . . 2.88 111.916 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 32' ' ' ASP . 27.0 t -117.75 157.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 2.26 110.549 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.9 m-20 -93.97 98.56 11.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 2.44 110.508 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' HB ' HG12 ' A' ' 109' ' ' VAL . 4.4 mp -96.93 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 1.53 111.105 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 37' ' ' THR . 5.3 m-20 -109.85 129.24 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.51 111.09 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.7 m -76.69 -19.94 57.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 1.95 110.538 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -67.01 -40.59 87.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.793 -0.64 . . . . 3.43 110.824 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.47 -10.2 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 1.73 111.132 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.09 155.88 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.102 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -147.12 149.99 34.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 3.53 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 257' ' ' ALA . 35.1 p90 -93.7 138.9 31.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 4.17 110.906 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.71 94.01 33.11 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 3.04 110.984 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -78.51 34.98 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.487 2.125 . . . . 2.3 112.457 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -65.86 -45.33 82.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.374 -0.376 . . . . 3.07 111.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.52 154.68 41.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 3.08 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -107.49 126.05 30.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 4.28 110.817 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.99 129.89 11.84 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.024 . . . . 2.41 112.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.73 -61.7 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 5.24 111.03 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.429 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 35.5 t -135.73 151.01 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 2.67 111.022 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG13 ' HB3' ' A' ' 52' ' ' ASP . 10.2 p -106.92 143.38 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.714 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -90.84 151.76 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 2.58 111.713 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' H ' ' HA ' ' A' ' 77' ' ' ALA . 22.5 t80 63.34 43.25 6.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.635 -0.711 . . . . 4.87 110.855 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' HB3' HG13 ' A' ' 49' ' ' VAL . 7.2 p-10 -92.23 -30.06 16.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.786 -0.643 . . . . 4.17 110.133 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -145.72 23.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 4.62 110.914 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.42 144.28 51.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.42 -0.355 . . . . 1.97 111.115 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 178' ' ' PHE . 94.7 m -143.48 138.54 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.9 111.308 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -90.12 144.47 25.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.026 -0.534 . . . . 1.87 110.762 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.22 -36.12 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 3.58 111.144 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -158.84 143.83 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.265 -0.425 . . . . 4.62 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.3 pt -127.15 127.56 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.72 110.913 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' HB2' ' A' ' 172' ' ' SER . 5.2 mp -113.31 155.16 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 2.58 111.358 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.446 HD21 ' HB ' ' A' ' 166' ' ' ILE . 2.5 m-20 -109.85 151.18 27.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.94 110.582 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.27 23.37 14.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.952 0.353 . . . . 3.13 111.952 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.8 14.45 82.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.381 -0.914 . . . . 2.64 112.555 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -172.12 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 4.34 110.437 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.98 141.88 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.586 . . . . 2.12 110.685 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -125.06 153.61 42.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 3.39 111.038 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.71 152.98 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 2.57 110.431 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.6 m -95.82 135.63 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 1.95 111.237 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.05 141.52 50.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.813 0.34 . . . . 3.84 110.968 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -102.2 145.52 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 4.12 110.767 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.7 152.07 32.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 3.04 110.648 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.75 3.92 49.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 3.88 111.5 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 3.2 110.553 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -128.63 -174.55 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.836 -0.62 . . . . 4.06 110.405 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.21 -26.92 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 2.84 110.768 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 60.17 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.967 -0.561 . . . . 3.26 111.661 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HA ' ' H ' ' A' ' 51' ' ' TYR . . . -102.26 123.57 46.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 1.42 111.193 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 89' ' ' ARG . 16.6 m -142.03 127.87 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 1.72 111.183 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.5 tp -114.01 134.13 55.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.38 -0.373 . . . . 2.3 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 48' ' ' SER . 97.1 mttt -128.28 169.24 14.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 2.67 110.493 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.35 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 2.5 112.432 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.26 -150.96 18.73 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.563 -0.827 . . . . 2.63 112.067 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.19 86.01 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.238 1.959 . . . . 4.13 111.406 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.0 tp -53.23 114.6 1.53 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.115 -0.493 . . . . 3.0 111.451 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -134.4 26.6 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 5.04 109.991 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.29 104.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.723 -0.671 . . . . 1.92 111.987 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -57.23 147.63 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 1.68 111.495 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -97.76 117.21 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 3.43 110.684 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HG2' HG12 ' A' ' 78' ' ' VAL . 73.4 mtt180 -100.37 134.52 43.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 3.79 111.049 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 8.4 mp -83.14 130.28 35.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 2.52 110.479 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.527 HG13 ' H ' ' A' ' 92' ' ' GLN . 1.6 pt -96.77 -62.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 2.47 111.875 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.527 ' H ' HG13 ' A' ' 91' ' ' ILE . 10.0 pt20 -156.91 155.02 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.856 0.36 . . . . 2.41 111.529 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 38.9 p90 -153.82 147.17 24.85 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.955 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.541 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.0 p-80 -114.95 165.66 12.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 1.29 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -111.42 163.7 13.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.974 0.416 . . . . 3.19 111.417 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -123.79 152.62 42.02 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.888 -0.596 . . . . 1.68 110.554 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.519 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 22.7 m-90 -140.41 103.26 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 5.75 111.221 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.36 172.69 55.12 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 3.04 112.484 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.556 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 33.0 t -75.73 -33.38 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 4.29 110.652 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.68 135.49 52.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 5.2 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.81 7.03 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 5.33 110.757 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.6 -22.24 6.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 4.18 112.171 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -157.38 169.19 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 4.67 110.933 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.454 ' H ' ' HE3' ' A' ' 113' ' ' LYS . . . 102.02 48.3 1.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.86 -0.686 . . . . 1.95 112.319 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.597 ' H ' ' HE3' ' A' ' 113' ' ' LYS . 41.2 t -101.64 -77.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 2.04 111.341 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.48 -25.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 2.64 110.616 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 248' ' ' GLN . 14.0 p80 -157.07 176.45 12.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 2.11 110.321 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.0 p -129.78 100.39 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 1.88 111.659 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.493 HG12 ' HB ' ' A' ' 33' ' ' ILE . 24.2 m -98.03 147.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.332 -0.394 . . . . 2.24 110.778 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.9 t70 54.35 33.14 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.452 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 62.65 25.22 15.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.853 -0.612 . . . . 3.37 111.135 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -134.86 155.38 50.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 3.86 110.802 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.597 ' HE3' ' H ' ' A' ' 105' ' ' SER . 45.0 tttp -122.71 148.85 44.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 2.57 110.439 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -91.96 166.72 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.884 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 148' ' ' LYS . . . -73.82 -43.91 57.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.278 . . . . 1.72 111.091 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.13 177.28 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.424 . . . . 1.55 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 44.3 mt-10 -150.73 136.58 18.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.486 -0.324 . . . . 2.4 110.918 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.801 HD21 ' HB ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -86.74 147.99 25.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 2.07 110.616 179.21 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.541 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.6 m170 -96.14 121.87 38.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.133 -0.485 . . . . 1.71 111.321 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 5.1 mp -114.52 105.28 12.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 2.51 110.985 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 114.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 1.83 111.205 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -131.78 136.85 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 2.43 110.963 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -106.29 152.97 22.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.945 0.403 . . . . 3.95 110.794 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.452 HD21 ' HB3' ' A' ' 126' ' ' LYS . 52.8 t30 -68.71 117.12 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 2.19 111.169 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.481 HG21 ' HD2' ' A' ' 89' ' ' ARG . 80.8 p -79.33 -14.43 58.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.859 -0.61 . . . . 1.77 111.418 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.452 ' HB3' HD21 ' A' ' 124' ' ' ASN . 28.6 tptp -51.34 -35.86 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 3.65 111.154 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -78.08 -27.19 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 4.38 110.832 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.64 85.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 2.22 112.537 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -140.09 142.08 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.375 . . . . 3.07 110.82 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -73.45 -24.97 60.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 3.08 111.08 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.89 -21.98 78.87 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.921 -0.657 . . . . 2.36 112.185 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -83.92 -42.64 16.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 3.63 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.31 94.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.73 110.723 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.74 -22.4 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 2.3 111.246 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -72.47 -24.44 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 3.84 110.782 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -102.8 126.01 33.93 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.22 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.88 -29.86 88.93 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.49 2.127 . . . . 2.44 112.296 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.18 22.34 16.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 2.64 110.644 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -100.41 -16.05 28.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 1.49 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.6 pt? -134.27 133.65 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 1.76 110.801 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.67 149.25 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.98 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.68 118.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 1.3 111.071 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 120' ' ' LEU . 52.1 mt -85.97 144.17 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 2.1 110.547 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 210' ' ' VAL . . . -134.05 117.28 1.81 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.645 -0.788 . . . . 1.4 112.719 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.801 ' HB ' HD21 ' A' ' 118' ' ' LEU . 10.8 mt -115.77 135.06 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.379 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.577 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 29.5 m-85 -69.51 152.88 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 4.48 110.95 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 118' ' ' LEU . 77.5 mt -137.76 71.96 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 3.25 110.633 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 60.6 pttt -112.36 143.11 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 4.32 110.622 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 217' ' ' VAL . 11.7 m -56.34 122.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.279 -0.419 . . . . 3.13 111.431 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.9 153.03 18.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.592 . . . . 3.15 112.051 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.6 t 60.49 94.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 3.85 110.627 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.05 3.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 3.82 111.458 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 157' ' ' GLN . 25.5 ttpp -59.09 116.77 17.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 5.19 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -61.18 -18.03 55.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.49 2.127 . . . . 3.09 112.236 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.477 ' H ' ' HG2' ' A' ' 153' ' ' LYS . . . 122.33 61.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.921 -0.657 . . . . 2.71 112.291 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.3 tp -145.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 3.94 110.682 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.505 ' HB3' ' HE2' ' A' ' 153' ' ' LYS . 10.8 pt20 -62.36 -31.74 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 3.55 111.351 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.63 -36.22 56.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 4.82 111.291 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.55 -27.76 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 3.12 111.282 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.485 HG12 HD23 ' A' ' 163' ' ' LEU . 62.0 t -66.15 -24.78 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 3.14 111.189 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.85 -19.34 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 3.01 111.356 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.8 -17.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 2.46 111.718 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.485 HD23 HG12 ' A' ' 160' ' ' VAL . 4.0 pp -61.57 -24.67 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 2.31 111.021 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.56 -12.57 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.495 . . . . 2.42 110.9 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.0 m -65.89 -26.15 67.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 1.85 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.446 ' HB ' HD21 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -125.66 48.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 2.44 110.547 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -52.03 -47.21 65.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.73 -0.668 . . . . 3.75 111.322 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.0 p -117.69 149.41 40.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 2.36 111.279 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -79.17 146.21 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.507 . . . . 3.46 110.654 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 105.99 -17.03 42.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.871 -0.681 . . . . 2.2 112.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -109.59 149.69 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 3.33 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' SER . . . . . 0.456 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 86.6 p -103.58 165.04 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 2.27 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -152.9 140.24 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.89 111.099 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.0 129.46 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 3.74 110.762 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -139.93 109.25 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 4.47 111.044 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.9 t -136.46 179.6 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.04 -0.527 . . . . 4.59 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 48.0 t30 62.73 57.17 1.81 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.962 0.41 . . . . 6.35 111.255 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' PHE . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 70.8 t80 -90.92 145.24 24.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 4.67 110.571 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.04 81.28 4.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 3.92 111.092 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.57 -10.1 15.92 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.53 2.153 . . . . 4.59 112.36 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.95 -20.07 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 8.64 110.818 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -90.6 -31.36 10.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 3.43 112.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.67 18.53 11.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.539 0.209 . . . . 5.71 111.294 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.25 139.51 91.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.662 -0.244 . . . . 4.53 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.32 131.8 6.77 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.521 2.147 . . . . 3.71 112.324 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.92 -7.4 59.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 6.38 110.906 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.0 m 59.94 32.02 20.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 5.07 110.932 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 188' ' ' LEU . 2.6 pt? -57.21 -30.46 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 4.32 111.125 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.556 ' HA ' ' HA ' ' A' ' 259' ' ' PHE . 3.3 p30 -150.82 149.46 29.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.444 -0.344 . . . . 3.78 110.964 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -140.5 140.35 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 3.36 110.728 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 257' ' ' ALA . 28.2 m95 -133.18 142.16 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 4.16 110.455 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 257' ' ' ALA . 8.8 t -153.16 139.9 18.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.859 0.361 . . . . 1.5 111.453 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -158.38 73.11 3.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 2.91 110.704 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.484 ' HA ' HG23 ' A' ' 207' ' ' THR . 10.9 Cg_endo -54.06 147.93 41.6 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.869 2.379 . . . . 1.48 112.836 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 174.3 -119.4 0.73 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.87 -0.681 . . . . 1.64 112.298 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' SER . . . . . 0.564 ' HA ' HG23 ' A' ' 206' ' ' VAL . 85.3 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.651 0.262 . . . . 2.75 110.699 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.992 0.425 . . . . 5.02 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.84 41.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 3.98 109.898 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -68.82 -2.06 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.738 -0.664 . . . . 2.48 111.089 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 206' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 196' ' ' SER . 2.7 m -112.43 111.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 1.8 111.06 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.484 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.8 m -112.97 130.05 56.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 1.27 110.813 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -109.69 111.89 23.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 2.43 110.741 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -130.85 134.96 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 1.45 110.88 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 35.9 t -76.09 106.89 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 2.12 111.29 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 145' ' ' ILE . 29.0 tp -62.76 161.63 12.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 3.85 110.625 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -77.5 -6.82 54.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 5.85 111.818 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 14.4 mm-40 -58.07 154.62 28.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.625 0.25 . . . . 5.91 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 164.22 33.58 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.708 2.272 . . . . 3.58 112.579 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 215' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' A' ' 146' ' ' PHE . 47.8 pt -84.54 171.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.545 . . . . 4.42 111.246 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 36.9 t -58.3 173.04 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 3.53 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 149' ' ' VAL . 33.4 m -99.48 173.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 2.45 111.13 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 69.5 m -62.43 161.5 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 3.39 111.233 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.2 p -63.42 -13.32 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 2.82 110.79 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.83 -43.18 90.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 4.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.31 -19.8 42.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 3.92 110.422 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.92 -17.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 2.44 110.398 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.55 -20.08 59.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 2.8 110.371 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 224' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 3.0 mptp? -85.43 -27.75 25.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 3.78 111.007 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.72 11.75 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 3.33 111.191 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -74.88 -26.95 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 4.82 111.233 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 227' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' A' ' 163' ' ' LEU . 7.9 ptpp? -69.1 -4.97 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 3.25 111.16 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.62 160.4 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 2.93 110.62 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -95.95 164.34 12.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 2.92 111.058 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 47.3 p90 -97.63 3.56 50.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 5.3 110.925 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 31.9 t30 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 4.3 111.045 -179.518 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.802 0.334 . . . . 5.11 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.403 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 53.8 ttp -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.228 -0.442 . . . . 5.21 110.62 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 17.2 m -141.41 -178.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 3.44 111.511 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 63.56 35.83 11.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.835 -0.62 . . . . 3.67 110.895 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.519 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 18.5 m120 -100.84 55.33 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 3.74 111.154 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -110.87 137.75 48.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 3.25 110.741 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -135.44 97.5 13.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 3.78 111.351 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.88 138.31 62.48 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.602 2.201 . . . . 2.43 111.959 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.16 40.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.341 -0.391 . . . . 3.18 111.383 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 248' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 57.1 tp60 -90.46 117.36 67.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.476 -0.329 . . . . 5.35 111.247 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.45 140.9 17.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.523 2.149 . . . . 4.02 112.448 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 37.7 tp -79.94 -8.61 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 3.94 110.638 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.69 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.536 . . . . 6.83 111.489 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.29 147.81 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 5.02 111.044 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -140.19 -58.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.021 -0.536 . . . . 5.82 110.683 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -105.94 117.37 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 3.22 110.478 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.499 HG22 ' H ' ' A' ' 257' ' ' ALA . 19.2 mm -64.01 145.61 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 2.02 111.033 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -93.44 19.2 8.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 2.91 111.261 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -164.44 167.69 19.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 1.46 111.326 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 50.2 m -158.23 -49.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 2.32 110.648 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 189' ' ' ASP . 97.3 m-85 -132.72 175.67 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.944 -0.571 . . . . 3.3 110.889 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.137 -0.935 . . . . 4.59 110.933 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.547 0.213 . . . . 3.57 110.831 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.32 128.91 30.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.471 2.114 . . . . 2.88 111.977 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.1 p -123.99 176.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 2.26 110.938 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' VAL . 14.7 m-20 -82.27 98.73 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 2.44 110.136 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.2 mp -60.18 118.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 1.53 111.287 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.8 m-20 -108.3 129.34 55.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.51 110.829 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 m -79.82 -23.46 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.809 -0.632 . . . . 1.95 111.143 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -79.27 -36.58 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 3.43 111.163 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 34' ' ' ASP . 5.5 t -76.61 -22.03 54.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 1.73 110.999 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HA ' HE22 ' A' ' 254' ' ' GLN . . . -55.26 149.08 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 1.29 111.016 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.22 143.7 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 3.53 110.84 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.478 ' N ' ' HA ' ' A' ' 260' ' ' LYS . 40.4 p90 -69.59 131.99 45.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 4.17 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -129.98 90.81 41.44 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 3.04 111.082 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -84.33 44.09 1.46 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.534 2.156 . . . . 2.3 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -85.77 -43.05 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 3.07 111.045 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 mt -136.92 114.92 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 3.08 110.985 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -100.22 140.42 21.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 4.28 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.85 125.86 17.02 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.486 2.124 . . . . 2.41 112.048 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 52.4 tp -80.61 -61.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.24 111.291 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -134.52 148.53 50.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 2.67 111.295 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -146.06 113.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.795 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 t -107.14 111.11 23.39 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.479 -0.328 . . . . 2.58 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 81.7 m-85 60.66 113.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.025 0.44 . . . . 4.87 111.296 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.68 -9.91 59.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 4.17 110.806 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -147.35 126.29 12.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 4.62 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.33 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 1.97 111.018 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -90.37 141.89 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 1.9 111.088 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 99.4 p -99.69 159.63 14.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 1.87 111.038 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -124.79 -39.24 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 3.58 111.282 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -165.64 146.59 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 4.62 110.884 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mp -109.88 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 1.72 110.78 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 tp -112.01 150.57 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.58 110.962 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.88 162.91 15.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 1.94 111.026 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.463 HD21 ' HB3' ' A' ' 65' ' ' ALA . 32.2 p30 -106.63 12.18 29.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 3.13 111.294 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.24 26.93 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.571 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' N ' ' HG2' ' A' ' 169' ' ' LYS . 78.2 t60 -176.72 -54.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 4.34 110.582 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 62' ' ' ASN . . . -89.97 162.25 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 2.12 110.711 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -140.56 133.87 29.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 3.39 111.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -133.36 153.27 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 2.57 110.267 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.597 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.9 t -97.0 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 1.95 111.334 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -70.48 141.5 52.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 3.84 111.123 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.34 152.51 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 4.12 110.674 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.46 146.6 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 3.04 111.007 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.79 26.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 3.88 111.098 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 t -88.49 -44.89 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 3.2 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 76' ' ' LYS . 23.6 pt20 -168.93 -174.72 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 4.06 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.14 -18.53 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 2.84 110.717 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 74' ' ' GLN . 73.7 mmtt 64.56 -81.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.692 -0.686 . . . . 3.26 111.717 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 51' ' ' TYR . . . -111.9 120.31 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 1.42 111.844 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.99 136.33 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 1.72 110.507 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 90' ' ' LEU . 7.2 mp -118.14 131.23 56.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.102 0.477 . . . . 2.3 111.656 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HA ' HD23 ' A' ' 84' ' ' LEU . 53.4 pttt -159.69 128.93 5.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.802 -0.636 . . . . 2.67 110.542 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . -170.71 -154.84 9.88 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.224 -0.989 . . . . 2.5 113.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.49 -63.08 2.29 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.994 -0.622 . . . . 2.63 113.015 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.92 -11.62 10.22 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.546 2.164 . . . . 4.13 112.402 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 80' ' ' LYS . 14.3 tp -91.8 150.3 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 3.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -83.64 12.64 5.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 5.04 111.665 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.75 -141.01 8.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.498 -0.858 . . . . 1.92 112.835 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -119.82 116.1 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.803 0.335 . . . . 1.68 110.962 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.443 ' HB3' ' ND1' ' A' ' 122' ' ' HIS . 71.0 m-85 -112.45 128.69 56.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.295 -0.411 . . . . 3.43 110.887 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -103.53 124.84 49.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 3.79 111.268 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 122' ' ' HIS . 4.7 mp -84.36 143.06 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 2.52 110.061 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.72 -45.04 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.565 0.58 . . . . 2.47 112.565 -179.011 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.438 ' N ' HG12 ' A' ' 91' ' ' ILE . 13.9 pt20 -151.23 161.91 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 2.41 111.691 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.736 ' HB3' HD13 ' A' ' 120' ' ' LEU . 10.2 p90 -142.79 174.99 10.16 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.993 -0.548 . . . . 1.57 110.502 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -145.83 169.41 18.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 1.29 111.004 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -109.97 148.95 30.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.313 -0.403 . . . . 3.19 110.913 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -110.87 123.96 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.058 -0.519 . . . . 1.68 110.68 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -122.04 120.4 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 5.75 110.765 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.0 -176.24 17.42 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.704 -0.76 . . . . 3.04 112.465 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -82.75 -25.79 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 4.29 110.963 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.18 146.19 24.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 5.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.45 16.67 5.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.182 -0.463 . . . . 5.33 111.014 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.57 -40.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 4.18 112.355 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -163.33 162.02 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 4.67 111.029 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.465 ' HA2' ' HD3' ' A' ' 113' ' ' LYS . . . 136.57 75.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.817 -0.706 . . . . 1.95 112.575 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.7 p -87.68 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 2.04 110.656 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 179.55 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.906 -0.588 . . . . 2.64 110.213 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -105.1 166.76 10.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.025 -0.534 . . . . 2.11 109.973 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 113' ' ' LYS . 63.8 p -112.12 119.17 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 1.88 111.598 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.55 135.24 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 2.24 110.372 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.9 t70 53.61 40.48 31.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.072 0.463 . . . . 2.18 110.11 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 58.7 25.2 13.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.824 -0.626 . . . . 3.37 111.306 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -129.54 150.0 51.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 3.86 111.082 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HB2' HG22 ' A' ' 108' ' ' THR . 22.5 ttmm -127.3 150.87 49.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 2.57 110.788 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -113.96 175.44 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 2.18 110.685 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.64 -47.43 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.72 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.08 162.47 35.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.574 . . . . 1.55 110.719 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.57 152.54 31.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 2.4 111.129 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.3 mt -86.42 148.12 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 2.07 110.747 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -132.13 95.52 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 1.71 110.738 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 93' ' ' PHE . 4.2 mm? -79.34 122.13 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 2.51 110.781 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.82 114.44 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 1.83 111.086 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . 19.1 p80 -131.85 -178.28 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.036 -0.529 . . . . 2.43 110.573 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -174.23 152.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 3.95 110.925 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.2 124.79 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.619 . . . . 2.19 110.923 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -71.49 -14.52 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.641 . . . . 1.77 110.903 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -58.47 -25.69 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 3.65 110.879 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.05 -27.91 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 4.38 110.805 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.85 -30.66 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.858 -0.687 . . . . 2.22 112.553 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -153.66 151.56 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 3.07 110.837 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -63.67 -19.66 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 3.08 111.199 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.79 -42.63 99.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 2.36 112.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.34 -17.36 30.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 3.63 110.511 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.32 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 1.73 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.85 -6.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 2.3 111.438 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -72.3 -12.25 61.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 3.84 110.708 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.431 ' HG3' ' HD2' ' A' ' 137' ' ' PRO . 33.5 tt0 -132.01 139.91 36.5 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.135 -0.484 . . . . 3.22 110.98 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.431 ' HD2' ' HG3' ' A' ' 136' ' ' GLN . 51.1 Cg_exo -52.69 -51.77 10.37 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.27 1.98 . . . . 2.44 112.118 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -90.33 15.47 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 2.64 110.648 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.56 -47.12 92.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.811 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -127.39 133.52 50.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 1.76 111.169 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.56 157.03 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.98 110.815 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.75 130.89 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 1.3 111.455 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' A' ' 211' ' ' LEU . 54.5 tp -85.77 131.24 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 2.1 110.433 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 129.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.622 -0.799 . . . . 1.4 113.013 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 64.0 mt -122.81 132.87 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.689 0.28 . . . . 1.53 110.421 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.69 116.68 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 4.48 111.218 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.473 HD11 ' HG ' ' A' ' 118' ' ' LEU . 84.5 mt -84.77 143.15 29.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 3.25 110.685 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.427 ' H ' ' HA ' ' A' ' 216' ' ' SER . 61.2 tttp -112.49 134.6 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 4.32 110.719 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 133.17 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.403 . . . . 3.13 111.211 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 145.6 53.68 0.02 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.484 -0.865 . . . . 3.15 113.049 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 t 57.21 94.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.887 0.375 . . . . 3.85 111.39 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -82.87 -73.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 3.82 111.235 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -111.49 154.41 43.82 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.269 -0.423 . . . . 5.19 111.097 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.71 -0.1 8.61 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.531 2.154 . . . . 3.09 111.887 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -119.5 23.65 8.37 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.299 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 221' ' ' GLN . 2.5 pt? -56.52 -15.03 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.708 0.289 . . . . 3.94 111.405 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -54.37 -40.57 68.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 3.55 111.433 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -58.74 -31.16 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 4.82 110.927 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 80.1 t -79.71 -29.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 3.12 111.223 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.53 -29.94 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 3.14 111.057 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -74.39 -33.4 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 3.01 110.728 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.415 HG21 ' HB ' ' A' ' 176' ' ' THR . 38.8 t -61.86 -28.37 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.46 110.846 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 164' ' ' ASP . 0.3 OUTLIER -75.93 -41.97 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 2.31 111.21 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.432 ' N ' HD23 ' A' ' 163' ' ' LEU . 30.3 t70 -54.04 -17.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 2.42 110.68 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 51.5 m -85.84 -43.34 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 1.85 110.687 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 173' ' ' ALA . 8.6 pt -96.36 43.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 2.44 111.537 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.75 -43.62 94.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 3.75 110.682 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 39.3 p -129.85 158.61 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 2.36 111.117 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -63.65 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 3.46 110.998 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.36 -20.98 20.39 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.828 -0.701 . . . . 2.2 112.819 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -109.19 141.54 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 3.33 110.995 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 89.1 p -101.3 149.89 23.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 2.27 111.093 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -105.51 176.75 5.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 1.89 110.918 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.81 157.65 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 3.74 111.045 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -52.22 137.29 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 4.47 111.082 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 162' ' ' VAL . 15.4 t -141.65 -172.95 3.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 4.59 110.727 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 54.98 52.74 11.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.446 -0.343 . . . . 6.35 111.008 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -109.0 109.46 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 4.67 110.76 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.27 85.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 3.92 111.061 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.32 -8.74 15.36 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.452 2.101 . . . . 4.59 112.162 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -74.52 -26.23 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.72 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -81.88 3.68 78.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 3.43 112.837 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.51 11.06 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 5.71 110.943 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 185' ' ' PRO . 33.0 tp -82.79 123.65 77.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 4.53 110.744 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' PRO . . . . . 0.587 ' HD2' HD12 ' A' ' 184' ' ' LEU . 57.8 Cg_endo -71.23 131.14 18.63 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.233 1.956 . . . . 3.71 112.169 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.55 -7.37 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 6.38 111.14 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 56.0 m 59.18 21.98 10.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.072 -0.513 . . . . 5.07 111.16 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.43 ' H ' ' HD2' ' A' ' 212' ' ' LYS . 22.3 tp -83.51 155.04 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 4.32 110.697 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 259' ' ' PHE . 11.2 m-20 -92.25 150.35 20.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.776 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.44 ' N ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.68 145.1 3.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 3.36 110.907 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.478 ' HB2' ' N ' ' A' ' 258' ' ' SER . 0.1 OUTLIER -126.19 175.99 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 4.16 110.406 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.9 t -118.88 142.86 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 1.5 111.426 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -115.9 103.46 53.5 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 2.91 110.672 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 207' ' ' THR . 56.1 Cg_endo -68.48 131.17 22.49 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.407 2.071 . . . . 1.48 112.262 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.36 -148.81 5.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.647 -0.787 . . . . 1.64 112.739 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 2.75 110.505 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 203' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.021 0.439 . . . . 5.02 110.975 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -106.31 16.79 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.079 -0.51 . . . . 3.98 110.814 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 72.0 m -106.51 41.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 2.48 109.987 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.12 129.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 1.8 111.469 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 194' ' ' PRO . 18.1 m -111.94 146.04 38.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.637 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -107.94 126.14 52.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.949 0.404 . . . . 2.43 111.285 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.7 mp -124.55 146.78 29.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.94 -0.573 . . . . 1.45 110.855 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.25 131.55 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 2.12 111.133 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 143' ' ' LEU . 75.7 mt -79.96 170.31 16.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 3.85 110.917 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 188' ' ' LEU . 37.0 mtmm -65.25 -54.26 31.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 5.85 110.8 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.08 97.76 6.3 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 5.91 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.05 139.55 56.5 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.613 2.209 . . . . 3.58 112.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.2 pt -68.11 167.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 4.42 111.066 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 216' ' ' SER . . . . . 0.427 ' HA ' ' H ' ' A' ' 148' ' ' LYS . 80.4 p -127.12 165.03 20.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 3.53 111.21 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.84 173.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.45 110.96 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 41.8 t -106.01 148.24 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 3.39 111.134 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 84.9 p -65.41 -25.79 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 2.82 110.116 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -80.99 -29.67 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.828 -0.624 . . . . 4.51 110.304 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 221' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 156' ' ' LEU . 26.7 tt0 -68.99 -44.47 72.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 3.92 110.483 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.5 -0.6 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 2.44 111.192 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.11 -30.3 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 2.8 110.741 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -86.5 -19.35 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 3.78 111.214 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -72.21 -7.01 46.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 3.33 111.346 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -90.23 -8.8 50.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.375 . . . . 4.82 111.048 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.46 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 3.25 111.73 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.57 162.07 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 2.93 111.136 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.74 159.69 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 2.92 110.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.91 3.32 39.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 5.3 111.117 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 231' ' ' ASN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 26.7 t-20 . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.468 -0.333 . . . . 4.3 111.345 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 5.11 110.706 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.46 119.17 7.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 5.21 110.668 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.42 HG23 ' OD1' ' A' ' 242' ' ' ASP . 35.0 m -106.44 -172.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 3.44 111.446 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 241' ' ' VAL . 12.1 m-20 63.93 30.0 14.33 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.092 -0.504 . . . . 3.67 110.523 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -104.61 52.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.811 -0.631 . . . . 3.74 110.791 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -143.96 160.91 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.951 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -130.99 152.91 81.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.542 . . . . 3.78 110.829 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.37 170.8 16.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.465 2.11 . . . . 2.43 112.534 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -154.79 36.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.579 . . . . 3.18 110.603 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.53 119.42 50.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 5.35 110.844 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 249' ' ' PRO . . . . . 0.52 ' HA ' HG23 ' A' ' 31' ' ' VAL . 72.9 Cg_endo -76.47 128.93 10.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.297 1.998 . . . . 4.02 112.391 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 33.1 tp -78.28 -44.25 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 3.94 110.481 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -148.48 -57.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.648 -0.705 . . . . 6.83 110.552 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -159.38 -59.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 5.02 110.582 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 62.44 117.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.96 -0.564 . . . . 5.82 111.445 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 254' ' ' GLN . . . . . 0.561 HE22 ' HA ' ' A' ' 38' ' ' ALA . 49.9 tp60 -104.52 145.79 29.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.579 . . . . 3.22 110.779 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 8.5 tp -97.54 139.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.839 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.41 99.64 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 2.91 111.162 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -126.2 148.54 49.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 1.46 110.77 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 191' ' ' TRP . 41.5 t -71.79 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 2.32 110.756 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 189' ' ' ASP . 87.7 t80 -112.11 144.82 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.3 110.65 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 260' ' ' LYS . . . . . 0.478 ' HA ' ' N ' ' A' ' 40' ' ' TYR . 61.4 tttm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.228 -0.892 . . . . 4.59 110.796 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.547 0.213 . . . . 3.57 111.18 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.85 131.36 25.45 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.697 2.265 . . . . 2.88 112.156 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 249' ' ' PRO . 22.2 t -128.54 164.78 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 2.26 110.537 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' HG12 ' A' ' 31' ' ' VAL . 47.3 m-20 -87.26 98.81 11.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.779 0.323 . . . . 2.44 110.527 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 31' ' ' VAL . 5.3 mp -85.67 142.56 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 1.53 110.917 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' HG22 ' A' ' 37' ' ' THR . 15.4 m-20 -108.84 129.78 55.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 1.51 111.104 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.2 m -71.65 -25.29 62.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.818 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -68.17 -40.83 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 3.43 111.084 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.2 t -79.12 -21.15 47.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.73 110.996 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.43 151.35 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 1.29 110.674 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -141.58 131.18 23.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 3.53 111.451 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -107.02 125.31 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.958 -0.565 . . . . 4.17 110.59 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -122.87 131.41 24.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 3.04 110.824 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.73 41.29 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.453 2.102 . . . . 2.3 112.486 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -83.95 -41.51 17.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 3.07 110.958 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD21 ' HD3' ' A' ' 83' ' ' PRO . 1.4 tt -104.74 132.82 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 3.08 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.3 pttt -60.31 152.47 63.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 4.28 110.921 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 125.86 12.09 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.498 2.132 . . . . 2.41 112.037 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 84' ' ' LEU . 2.6 mt -55.24 132.71 48.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 5.24 110.685 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.6 t -92.89 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 2.67 110.949 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -146.21 143.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.311 -0.404 . . . . 2.44 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -110.18 142.8 41.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.471 . . . . 2.58 110.474 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -168.82 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 4.87 110.828 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.52 -24.92 22.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.961 -0.563 . . . . 4.17 110.366 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -102.19 1.01 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 4.62 110.883 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.36 120.54 5.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.264 -0.426 . . . . 1.97 111.212 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -143.34 132.18 22.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 1.9 111.291 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.3 p -89.88 167.75 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.574 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 tp -120.98 -39.29 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.372 -0.377 . . . . 3.58 111.662 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 16.3 ptp180 -174.69 171.45 3.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 4.62 111.465 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.46 HG12 HG12 ' A' ' 68' ' ' VAL . 55.7 mt -131.76 105.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.681 . . . . 1.72 110.555 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -95.95 157.99 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 2.58 111.521 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -132.97 154.97 49.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.603 . . . . 1.94 110.728 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -106.93 23.48 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 3.13 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.5 10.52 75.53 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.625 -0.798 . . . . 2.64 112.543 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -149.42 -59.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 4.34 110.609 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.87 161.03 15.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 2.12 110.788 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.65 133.82 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 3.39 111.218 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -133.43 151.5 51.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 2.57 110.666 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' PHE . 14.6 m -117.55 139.79 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 1.95 111.079 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.19 153.14 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.92 0.391 . . . . 3.84 111.426 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -108.73 165.21 11.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 4.12 110.779 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.26 126.3 28.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 3.04 110.695 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -90.69 5.69 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 3.88 110.575 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 m -59.76 -32.06 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 3.2 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -157.18 147.96 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 4.06 110.788 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.56 86.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.607 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 29.9 mmtp -62.92 -72.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 3.26 111.064 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.39 135.18 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.42 111.096 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -135.25 151.43 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 1.72 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -116.25 127.11 54.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.872 0.368 . . . . 2.3 111.368 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -159.34 128.42 5.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 2.67 110.228 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.07 -121.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.278 -0.963 . . . . 2.5 113.366 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.74 -80.0 1.42 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.739 -0.743 . . . . 2.63 113.303 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' HD21 ' A' ' 44' ' ' LEU . 39.6 Cg_endo -65.93 -1.78 5.66 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.764 2.309 . . . . 4.13 112.818 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 47' ' ' LEU . 8.0 mp -64.71 134.16 53.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.317 . . . . 3.0 110.81 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.84 -12.88 40.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 5.04 111.228 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.63 -127.51 1.75 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.578 -0.82 . . . . 1.92 112.784 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -112.23 130.49 55.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.68 111.384 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.09 134.67 54.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 3.43 110.732 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -103.44 152.89 21.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 3.79 111.09 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 6.5 mp -89.45 139.69 30.27 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.153 -0.476 . . . . 2.52 110.757 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -114.01 -80.72 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.323 -0.399 . . . . 2.47 111.436 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -153.16 163.94 38.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.566 0.222 . . . . 2.41 110.868 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' O ' HG22 ' A' ' 68' ' ' VAL . 45.3 p90 -157.42 156.21 31.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 1.57 111.626 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 5.6 p-80 -130.78 167.89 18.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.532 -0.758 . . . . 1.29 110.322 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -112.54 144.78 41.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.309 . . . . 3.19 111.112 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -94.92 173.18 7.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.287 -0.415 . . . . 1.68 110.52 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.571 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 93.2 m95 -133.05 166.31 22.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.831 0.348 . . . . 5.75 111.102 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.14 129.93 2.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.02 -0.609 . . . . 3.04 112.511 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.8 t -76.15 -34.79 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 4.29 111.025 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . 47.8 mt -103.37 141.89 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 5.2 111.069 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.3 -0.06 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 5.33 110.687 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.5 -11.3 51.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.841 -0.695 . . . . 4.18 111.829 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 17.2 pt20 -144.94 171.63 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.603 0.24 . . . . 4.67 110.612 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.24 -44.2 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.482 -0.866 . . . . 1.95 112.874 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.7 m -96.06 -169.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 2.04 111.238 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -93.35 -79.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 2.64 111.123 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.02 163.71 27.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 2.11 110.768 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.466 HG22 ' HG3' ' A' ' 113' ' ' LYS . 29.6 p -133.09 149.43 52.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 1.88 111.527 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.84 145.72 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 2.24 110.767 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.9 t70 53.38 34.41 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.841 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 61.61 25.3 15.24 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.029 -0.532 . . . . 3.37 111.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -134.91 125.61 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.322 -0.399 . . . . 3.86 110.846 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.4 ttmp? -88.89 147.18 24.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 2.57 110.83 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HD1' ' HB3' ' A' ' 148' ' ' LYS . 95.6 m-85 -77.04 166.02 23.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 2.18 111.063 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.54 40.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.107 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -171.55 169.18 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 1.55 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HA ' ' HG ' ' A' ' 147' ' ' LEU . 53.6 tt0 -153.02 145.63 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 2.4 110.989 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.507 HD21 ' HB ' ' A' ' 145' ' ' ILE . 4.4 pp -86.88 147.55 25.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.742 0.306 . . . . 2.07 110.715 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.464 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -110.67 95.01 5.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.71 111.087 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 121' ' ' VAL . 1.6 tt -107.46 129.73 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.997 -0.372 . . . . 2.51 109.997 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.526 ' N ' HD23 ' A' ' 120' ' ' LEU . 25.1 m -104.83 141.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 1.83 111.738 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.501 ' ND1' HD23 ' A' ' 143' ' ' LEU . 35.7 m80 -127.63 150.72 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 2.43 109.964 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -158.89 130.46 6.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 3.95 111.232 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 55.9 t30 -69.93 126.28 29.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.838 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 t -73.55 -15.06 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 1.77 111.818 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 17.3 tppt? -57.84 -28.04 63.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 3.65 111.045 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -78.06 -25.64 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 4.38 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.9 -36.48 2.69 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.794 -0.717 . . . . 2.22 112.743 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -139.96 143.98 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 3.07 110.891 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 134' ' ' VAL . 47.3 p90 -64.74 -24.09 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 3.08 110.96 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -68.91 -26.51 74.59 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.71 -0.757 . . . . 2.36 112.469 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.3 -32.96 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 3.63 110.771 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.73 111.62 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 130' ' ' PHE . 23.8 m -60.95 -17.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 2.3 111.434 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -72.13 -7.21 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 3.84 110.762 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -116.27 135.95 22.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.644 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.46 -26.97 83.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.474 2.116 . . . . 2.44 112.203 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.39 20.2 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 2.64 111.183 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.11 -77.95 0.17 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.676 -0.773 . . . . 1.49 112.548 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.699 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.4 pt? -102.33 148.25 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.704 0.288 . . . . 1.76 110.53 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.31 159.99 26.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.98 111.307 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 111.59 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.3 111.114 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.716 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.0 mm? -89.87 121.23 31.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 2.1 110.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.19 134.95 7.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 1.4 112.679 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.507 ' HB ' HD21 ' A' ' 118' ' ' LEU . 62.2 mt -108.32 117.48 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 1.53 110.852 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.33 96.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 4.48 111.056 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 216' ' ' SER . 74.7 mt -61.94 133.51 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 3.25 110.944 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.45 ' HB3' ' HD1' ' A' ' 114' ' ' TYR . 13.9 ptmm? -143.01 168.48 19.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.936 0.398 . . . . 4.32 111.281 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 218' ' ' SER . 92.7 t -79.08 116.41 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.947 -0.57 . . . . 3.13 110.885 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.87 -142.34 7.81 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.558 -0.829 . . . . 3.15 112.802 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m -96.53 -1.93 46.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 3.85 110.927 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . 63.07 171.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.905 -0.588 . . . . 3.82 111.846 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 20.8 ttmm -112.61 127.47 26.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.814 -0.63 . . . . 5.19 110.921 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.75 -26.07 16.4 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.323 2.015 . . . . 3.09 112.3 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.25 65.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 2.71 112.533 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 39.3 tp -68.31 -5.68 19.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 3.94 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -53.58 -27.12 24.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.312 -0.404 . . . . 3.55 110.82 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -59.45 -39.07 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 4.82 110.365 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 96.7 t -79.89 -29.28 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 3.12 110.701 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.79 -36.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 3.14 110.816 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.31 -43.19 86.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.055 -0.521 . . . . 3.01 110.501 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.9 -31.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 2.46 110.679 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -35.51 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 2.31 111.188 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.29 -12.7 1.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 2.42 110.866 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.3 t -92.1 -34.08 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 1.85 111.278 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 166' ' ' ILE . 4.1 mp -100.13 51.26 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.22 0.534 . . . . 2.44 110.722 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.65 -47.48 39.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 3.75 110.828 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 62.2 p -104.71 147.34 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 2.36 111.18 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.439 ' HB2' ' NZ ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.57 147.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 3.46 110.61 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.37 27.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.843 -0.694 . . . . 2.2 112.377 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.84 174.83 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 3.33 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 54.0 m -126.74 163.68 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 2.27 110.753 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -162.03 132.23 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 1.89 111.014 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.33 124.49 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 3.74 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.411 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 67.4 t80 -138.62 105.0 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 4.47 110.77 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.7 t -124.76 -178.02 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 4.59 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.67 57.11 3.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 6.35 111.113 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -80.63 148.9 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 4.67 110.711 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -106.35 93.25 7.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 3.92 110.944 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.59 -8.07 20.14 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 4.59 112.576 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 41.2 ttm180 -71.94 -16.17 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 8.64 110.777 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -92.36 0.68 71.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.65 -0.786 . . . . 3.43 112.506 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.59 18.57 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 5.71 110.986 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 181' ' ' ARG . 96.1 mt -57.18 133.31 80.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 4.53 110.886 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.81 128.01 11.29 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.504 2.136 . . . . 3.71 112.29 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.31 -16.1 50.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 6.38 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.0 t -129.2 154.53 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 5.07 111.111 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 94.6 mt -111.87 67.35 0.65 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 4.32 110.785 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.35 154.24 40.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 3.78 110.832 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -154.67 167.35 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 3.36 110.566 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -120.54 139.2 53.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 4.16 110.568 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -120.7 147.39 45.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.377 -0.374 . . . . 1.5 111.096 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -167.03 87.67 0.79 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 2.91 110.994 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.542 ' HA ' HG23 ' A' ' 207' ' ' THR . 94.2 Cg_endo -77.84 136.17 14.82 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.439 2.093 . . . . 1.48 111.851 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.99 -140.44 2.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.234 -0.984 . . . . 1.64 113.118 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 120.549 0.214 . . . . 2.75 110.656 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.788 0.327 . . . . 5.02 111.1 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.6 16.95 21.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.528 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 31.6 p -78.79 2.0 21.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 2.48 110.456 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 122.93 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.715 -0.675 . . . . 1.8 110.74 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.4 m -113.01 140.52 47.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 1.27 111.155 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -106.25 108.59 20.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 2.43 110.72 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.716 ' HB ' HD13 ' A' ' 143' ' ' LEU . 3.2 mp -120.03 161.64 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 1.45 110.558 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 209' ' ' ILE . 36.6 t -123.36 104.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 2.12 111.229 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.441 ' HB2' HG12 ' A' ' 145' ' ' ILE . 76.9 mt -54.4 138.55 39.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.999 -0.546 . . . . 3.85 111.046 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -70.54 -6.68 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 5.85 110.74 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 214' ' ' PRO . 12.8 mm-40 -58.36 162.3 6.31 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.07 -0.514 . . . . 5.91 111.268 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 214' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 213' ' ' GLU . 78.3 Cg_exo -51.27 173.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.801 2.334 . . . . 3.58 112.938 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 215' ' ' ILE . . . . . 0.778 ' H ' HD13 ' A' ' 215' ' ' ILE . 0.2 OUTLIER -118.29 172.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.879 -0.601 . . . . 4.42 111.307 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 216' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' A' ' 147' ' ' LEU . 42.1 t -50.96 172.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.087 0.47 . . . . 3.53 111.649 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 152' ' ' ALA . 17.6 m -99.05 177.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 2.45 111.499 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.525 ' HA ' HG13 ' A' ' 149' ' ' VAL . 39.0 t -62.32 164.68 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 3.39 111.216 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 222' ' ' VAL . 84.2 p -74.39 -27.25 60.55 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.923 -0.58 . . . . 2.82 110.834 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.31 -21.02 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 4.51 110.638 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -85.03 -34.34 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 3.92 110.865 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 219' ' ' SER . 33.7 m -80.75 27.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.412 . . . . 2.44 110.97 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.3 tp -70.75 -30.63 67.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 2.8 109.91 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -85.48 -17.83 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.592 -0.731 . . . . 3.78 110.373 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -86.12 -36.84 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.862 -0.608 . . . . 3.33 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 223' ' ' LEU . 13.0 ptp180 -65.32 -14.02 59.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 4.82 110.769 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.64 -7.96 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 3.25 111.083 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.24 162.23 20.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 2.93 110.753 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -119.7 140.58 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 2.92 111.122 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.415 ' HA ' ' SD ' ' A' ' 240' ' ' MET . 38.2 t80 -55.81 -45.1 78.37 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 5.3 110.336 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 18.6 m120 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.829 -0.623 . . . . 4.3 110.626 179.614 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.2 mp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.764 0.316 . . . . 5.11 111.145 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 230' ' ' PHE . 14.8 tpt -78.74 87.82 4.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 5.21 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.3 p -162.9 110.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 3.44 111.431 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 21.7 t70 179.91 41.0 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.157 -0.474 . . . . 3.67 110.692 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.571 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 32.4 m-80 -117.21 54.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 3.74 111.35 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -110.16 159.82 17.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 3.25 110.824 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -140.75 157.69 67.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 3.78 111.189 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.63 173.06 3.06 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.475 2.117 . . . . 2.43 112.236 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.58 38.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 3.18 110.983 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.25 142.08 97.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 5.35 110.579 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 249' ' ' PRO . . . . . 0.571 ' HA ' HG13 ' A' ' 31' ' ' VAL . 86.1 Cg_endo -82.92 123.38 3.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.307 2.005 . . . . 4.02 112.797 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.47 -48.47 12.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 3.94 110.418 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -171.57 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.674 -0.694 . . . . 6.83 111.018 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.04 91.61 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.356 -0.384 . . . . 5.02 110.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -95.17 -57.68 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 5.82 111.231 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -158.06 132.07 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.343 . . . . 3.22 111.271 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 6.5 tp -116.4 136.32 53.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.178 -0.465 . . . . 2.02 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -106.41 140.98 38.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.399 . . . . 2.91 110.951 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.29 167.5 19.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 1.46 111.056 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 34.8 t -97.18 18.15 15.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 2.32 110.721 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -114.83 136.78 52.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.795 -0.639 . . . . 3.3 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.268 -0.872 . . . . 4.59 110.791 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.591 0.234 . . . . 3.57 110.712 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.73 125.43 15.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.578 2.185 . . . . 2.88 112.387 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -131.44 140.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.093 -0.503 . . . . 2.26 110.987 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.58 133.84 53.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.0 -0.545 . . . . 2.44 110.931 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.6 mp -98.87 131.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 1.53 110.885 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG22 ' A' ' 37' ' ' THR . 6.4 m-20 -102.84 129.27 49.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.06 0.457 . . . . 1.51 111.182 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 m -80.11 -15.73 56.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.626 . . . . 1.95 110.275 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -83.21 -35.6 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.518 -0.764 . . . . 3.43 111.307 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.0 t -74.43 -14.95 60.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 1.73 111.156 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.55 156.98 24.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 1.29 110.953 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.61 145.74 45.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.526 -0.306 . . . . 3.53 110.789 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -101.65 107.48 18.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.06 0.457 . . . . 4.17 111.444 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -120.73 120.64 29.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 3.04 110.472 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.78 86.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.323 2.015 . . . . 2.3 112.605 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -89.71 -45.64 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.354 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 ' HA3' ' A' ' 81' ' ' GLY . 37.4 tp -141.68 131.41 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.792 -0.64 . . . . 3.08 110.288 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -108.32 155.35 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 4.28 111.142 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.08 125.7 12.83 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.137 1.891 . . . . 2.41 111.816 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.432 HD23 ' HE2' ' A' ' 80' ' ' LYS . 47.6 tp -112.42 -56.44 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 5.24 110.818 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 m -135.49 137.71 42.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 2.67 110.999 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 HD12 ' A' ' 79' ' ' LEU . 4.6 m -142.92 124.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 2.44 111.308 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m -113.78 145.87 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 2.58 111.061 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -179.61 40.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.959 -0.564 . . . . 4.87 110.66 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.75 -31.7 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.895 -0.593 . . . . 4.17 110.739 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -105.86 4.4 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 4.62 110.835 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.42 120.33 8.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 1.97 111.473 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 57' ' ' LEU . 48.8 m -139.65 135.41 33.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.338 -0.392 . . . . 1.9 111.03 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -134.48 31.38 3.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.494 . . . . 1.87 111.046 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 175' ' ' PHE . 7.4 mp -94.46 -2.44 51.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 3.58 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -116.4 123.71 48.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 4.62 110.848 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.735 ' HB ' HD12 ' A' ' 166' ' ' ILE . 76.0 mt -131.24 103.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.72 111.053 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -113.21 140.09 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 2.58 110.534 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -108.74 167.55 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 1.94 111.301 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.61 17.0 23.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 3.13 111.516 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.94 14.36 59.43 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.587 -0.816 . . . . 2.64 112.681 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -170.71 -52.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 4.34 111.196 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.23 150.75 24.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 2.12 110.998 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -122.01 143.85 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 3.39 111.103 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -129.67 104.66 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 2.57 110.608 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 15.4 m -107.43 116.67 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.354 . . . . 1.95 111.482 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 9.9 tp10 178.86 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.22 -0.445 . . . . 3.84 110.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.433 ' HB3' ' HD3' ' A' ' 76' ' ' LYS . 27.7 m-85 -129.76 168.49 16.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.344 -0.389 . . . . 4.12 110.717 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 m-20 -64.99 148.89 50.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 3.04 110.46 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.51 14.41 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 3.88 111.151 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.8 p -78.2 -43.52 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 3.2 110.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -167.09 -171.25 1.72 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 4.06 111.156 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.31 144.55 32.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.253 -0.43 . . . . 2.84 110.997 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 14.4 mptt -115.14 -83.0 0.62 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 3.26 111.385 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -103.85 141.31 36.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 1.42 111.567 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 50' ' ' SER . 27.2 m -135.65 167.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 1.72 110.646 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 49' ' ' VAL . 25.8 tp -130.35 138.31 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 2.3 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HE2' HD23 ' A' ' 47' ' ' LEU . 87.6 tttt -140.83 138.28 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.35 -0.387 . . . . 2.67 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.452 ' HA3' HD21 ' A' ' 44' ' ' LEU . . . -96.91 -177.99 34.92 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.847 -0.692 . . . . 2.5 112.522 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.51 -93.53 0.01 OUTLIER Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.874 -0.679 . . . . 2.63 112.757 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD2' HD12 ' A' ' 44' ' ' LEU . 37.2 Cg_endo -65.17 -5.05 10.23 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.554 2.17 . . . . 4.13 112.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' HE1' ' A' ' 88' ' ' TYR . 35.6 tp -78.49 137.58 38.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 3.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 54.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 5.04 110.69 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.16 116.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.888 -0.673 . . . . 1.92 112.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.9 p -83.49 118.36 23.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 1.68 111.22 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.42 ' HE1' HD21 ' A' ' 84' ' ' LEU . 35.6 m-85 -89.69 117.07 28.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 3.43 111.04 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 78' ' ' VAL . 99.0 mtt180 -94.22 141.1 28.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 3.79 110.548 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.2 mt -82.5 132.56 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.86 0.362 . . . . 2.52 110.871 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.49 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 2.47 111.256 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.559 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . 18.6 pt20 -159.77 170.39 21.59 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.715 -0.22 . . . . 2.41 110.933 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -141.61 173.04 11.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 1.57 110.839 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.499 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.2 p-80 -149.8 167.98 25.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.836 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -117.33 162.1 18.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.885 0.374 . . . . 3.19 111.565 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.427 ' HA ' HD22 ' A' ' 243' ' ' ASN . 45.1 m-70 -120.7 166.31 13.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.909 -0.587 . . . . 1.68 110.478 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -171.13 100.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 5.75 110.461 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.594 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -58.73 -178.46 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.889 -0.672 . . . . 3.04 112.829 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -101.13 2.77 40.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 4.29 110.567 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 mt -92.65 145.76 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.855 -0.611 . . . . 5.2 110.899 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 30.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 5.33 110.955 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -145.09 -51.06 0.03 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.575 -0.821 . . . . 4.18 112.603 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.97 176.19 9.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.613 0.244 . . . . 4.67 110.747 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.01 51.22 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.362 -0.923 . . . . 1.95 113.08 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.67 ' H ' ' HE2' ' A' ' 113' ' ' LYS . 42.1 t -107.67 175.44 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.611 0.243 . . . . 2.04 110.7 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.45 ' HG2' ' HB2' ' A' ' 245' ' ' ARG . 41.1 mt-10 -73.3 -83.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.64 110.656 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -103.71 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 2.11 110.249 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.8 p -116.58 116.97 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 1.88 111.653 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.31 143.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 2.24 110.48 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.0 t70 54.75 30.42 13.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.36 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 63.94 25.53 13.96 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.872 -0.604 . . . . 3.37 111.375 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -129.27 146.7 51.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 3.86 111.097 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.67 ' HE2' ' H ' ' A' ' 105' ' ' SER . 75.1 tttt -117.31 150.17 39.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 2.57 110.608 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.46 164.22 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 2.18 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.1 -22.7 23.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.301 -0.409 . . . . 1.72 111.049 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.98 158.48 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.55 110.715 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 11.2 pt-20 -152.46 140.99 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 2.4 111.679 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 66.2 mt -87.01 148.14 25.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.232 -0.44 . . . . 2.07 110.51 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.499 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 2.9 m170 -126.91 100.78 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 1.71 111.234 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 143' ' ' LEU . 5.5 tt -92.38 123.02 35.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.51 110.325 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 142' ' ' VAL . 5.7 m -110.93 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 1.83 111.384 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -116.57 118.25 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 2.43 110.78 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.597 ' HB3' HD12 ' A' ' 140' ' ' LEU . 26.0 m0 -109.19 120.13 41.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.95 110.581 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -55.87 128.28 34.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 2.19 110.727 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -58.93 -14.4 9.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 1.77 111.154 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.87 -14.2 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.703 -0.681 . . . . 3.65 111.458 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 2.3 p90 -77.39 -29.64 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.449 -0.341 . . . . 4.38 111.502 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 2.22 112.347 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.16 172.04 13.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.642 0.258 . . . . 3.07 110.923 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -57.09 -43.61 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 3.08 111.236 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.56 -42.4 57.88 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.859 -0.686 . . . . 2.36 112.718 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 96.7 mttt -83.25 -17.47 42.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 3.63 110.703 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HD1' ' A' ' 127' ' ' TYR . . . -65.38 -50.9 63.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.73 110.609 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -64.0 -22.7 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.841 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -81.79 -24.07 36.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 3.84 110.851 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -117.34 83.37 16.17 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.155 -0.475 . . . . 3.22 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.65 -35.84 98.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.463 2.109 . . . . 2.44 112.5 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.87 25.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 2.64 111.483 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.13 -21.58 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.615 -0.802 . . . . 1.49 112.427 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 123' ' ' TRP . 1.3 mm? -113.2 117.16 31.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.7 0.286 . . . . 1.76 110.645 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -109.07 156.45 19.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.98 111.15 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 209' ' ' ILE . 40.5 t -129.92 113.87 28.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 1.3 111.4 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.508 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 65.1 tp -85.66 144.34 27.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 2.1 110.878 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.76 118.18 2.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 1.4 112.688 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 60.6 mt -102.91 143.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 1.53 110.725 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -121.26 122.1 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.528 -0.305 . . . . 4.48 110.991 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.471 HD11 ' HG ' ' A' ' 118' ' ' LEU . 14.7 mt -105.29 160.83 14.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 3.25 110.885 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -148.1 142.3 26.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 4.32 110.997 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.02 122.38 16.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.317 -0.401 . . . . 3.13 110.94 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.75 -86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 3.15 112.57 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.9 m -154.52 105.97 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 3.85 110.753 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.11 169.99 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 3.82 111.038 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.59 149.22 36.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 5.19 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.485 ' HD2' HH12 ' A' ' 181' ' ' ARG . 50.3 Cg_endo -69.87 -2.68 10.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.534 2.156 . . . . 3.09 112.047 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.97 -56.47 6.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.881 -0.676 . . . . 2.71 112.391 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.9 mp -96.01 0.45 51.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 3.94 110.923 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 3.55 110.616 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -84.91 -24.56 28.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 4.82 111.042 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 162' ' ' VAL . 59.2 t -67.54 -39.82 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 3.12 111.881 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.85 -15.51 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 3.14 111.415 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.95 -47.54 24.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.301 -0.408 . . . . 3.01 110.785 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 159' ' ' VAL . 15.0 m -71.03 -17.34 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 2.46 110.688 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 2.31 110.93 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.83 -17.87 4.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 2.42 110.496 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.6 t -82.05 -43.78 17.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.906 -0.588 . . . . 1.85 110.216 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.735 HD12 ' HB ' ' A' ' 59' ' ' ILE . 3.6 pt -92.08 30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.964 -0.562 . . . . 2.44 110.763 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.25 -46.43 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.839 -0.619 . . . . 3.75 111.06 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 63.8 p -83.11 169.49 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.815 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -80.53 144.19 32.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 3.46 111.0 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.76 68.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 2.2 112.47 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -109.62 120.95 44.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 3.33 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 39.4 t -106.36 168.93 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 2.27 110.464 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.94 141.69 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 1.89 111.178 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -85.56 156.11 20.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 3.74 110.605 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 37.7 p90 -97.25 128.46 44.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 4.47 110.909 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 32.5 m -151.87 151.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 4.59 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.16 55.84 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 6.35 110.571 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -52.07 149.4 5.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.841 -0.618 . . . . 4.67 111.141 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.6 108.82 27.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.55 . . . . 3.92 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.83 -16.36 49.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.226 1.951 . . . . 4.59 112.202 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' ARG . . . . . 0.485 HH12 ' HD2' ' A' ' 154' ' ' PRO . 17.4 ptp180 -76.17 -24.76 54.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 8.64 110.73 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -80.31 14.57 21.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.86 -0.686 . . . . 3.43 112.614 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.52 17.21 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 5.71 110.791 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.54 146.47 85.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.1 -0.5 . . . . 4.53 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.94 128.04 9.74 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.471 2.114 . . . . 3.71 112.559 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.2 -7.28 59.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 6.38 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.9 t -86.81 100.49 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 5.07 111.074 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.436 ' HG ' ' OD1' ' A' ' 189' ' ' ASP . 62.9 tp -168.1 -73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 4.32 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.436 ' OD1' ' HG ' ' A' ' 188' ' ' LEU . 35.3 m-20 -145.23 164.38 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.78 110.794 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.83 167.83 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 3.36 110.975 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.569 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 15.6 t-105 -147.63 116.92 6.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 4.16 110.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 6.2 t -146.81 169.06 19.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 1.5 111.754 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 193' ' ' TYR . . . . . 0.444 ' HB2' HG13 ' A' ' 255' ' ' ILE . 22.1 t80 -158.06 117.25 1.86 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 115.78 -0.645 . . . . 2.91 110.346 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.617 ' HA ' HG23 ' A' ' 207' ' ' THR . 74.0 Cg_exo -48.7 127.58 16.74 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.218 1.945 . . . . 1.48 112.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -105.07 119.09 6.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.64 112.773 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.594 0.235 . . . . 2.75 110.432 179.588 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 203' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 203' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 5.02 110.62 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -68.16 -74.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 3.98 110.727 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.4 p -174.69 35.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 2.48 110.505 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.3 121.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 1.8 111.175 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.617 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.0 m -109.13 146.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 1.27 110.453 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -92.03 107.89 19.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 2.43 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.2 mm -103.66 155.81 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 1.45 110.513 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 62.2 t -144.62 135.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 2.12 111.076 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.58 151.46 37.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 3.85 110.478 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 64.7 pttt -52.96 -46.26 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 5.85 111.25 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 212' ' ' LYS . 42.5 mm-40 -131.99 99.04 16.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 5.91 111.126 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.42 131.08 40.7 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.284 1.989 . . . . 3.58 112.044 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 215' ' ' ILE . . . . . 0.404 HG13 HD22 ' A' ' 147' ' ' LEU . 33.7 pt -77.28 164.53 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 4.42 111.405 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 24.2 m -125.79 144.41 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 3.53 110.743 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 147' ' ' LEU . 33.6 m -131.49 164.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.45 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 48.2 t -109.72 160.03 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.455 -0.339 . . . . 3.39 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.529 ' HB2' HH22 ' A' ' 226' ' ' ARG . 89.2 p -55.21 -23.43 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 2.82 110.974 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.97 -32.59 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 4.51 110.456 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.59 -35.04 76.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 3.92 110.449 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.6 m -94.98 -1.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 2.44 110.898 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 226' ' ' ARG . 49.4 tp -64.25 -29.54 70.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 2.8 110.535 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.863 -0.608 . . . . 3.78 110.787 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -87.68 -24.97 23.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 3.33 111.058 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.574 ' HD2' HD12 ' A' ' 223' ' ' LEU . 98.9 mtt180 -64.21 -20.39 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.045 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.46 -20.51 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 3.25 110.891 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.73 162.19 19.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.93 111.216 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.75 148.65 32.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.56 . . . . 2.92 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 51.7 p90 -72.16 -8.64 55.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.019 -0.537 . . . . 5.3 111.258 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 46.6 t30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 4.3 111.114 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.79 0.328 . . . . 5.11 110.81 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.458 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 45.6 ttp -64.99 125.39 24.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 5.21 110.767 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.14 179.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 3.44 111.396 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 12.3 t70 65.96 42.37 3.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.13 -0.486 . . . . 3.67 110.302 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.594 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 2.7 m-20 -96.27 51.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.737 -0.665 . . . . 3.74 111.426 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -97.91 148.35 23.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 3.25 110.792 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.45 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 35.4 mmt180 -140.74 151.78 64.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 3.78 110.934 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -78.03 151.34 27.2 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.543 2.162 . . . . 2.43 112.182 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.56 -173.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 3.18 111.046 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.8 143.73 50.18 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 5.35 110.846 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.11 126.02 8.31 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.579 2.186 . . . . 4.02 112.748 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 32.8 tp -72.71 -27.84 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 3.94 110.274 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.04 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 6.83 111.788 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -145.63 -54.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 5.02 111.142 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -50.65 144.33 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 5.82 111.068 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -102.32 171.53 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 3.22 110.925 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 193' ' ' TYR . 1.8 mp -68.09 116.36 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 2.02 111.068 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -88.23 78.92 7.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 2.91 110.489 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.78 162.51 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.46 111.007 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 97.0 p -106.93 1.38 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.651 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -112.26 143.57 43.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.542 . . . . 3.3 110.895 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 65.0 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.192 -0.909 . . . . 4.59 110.984 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.342 0.115 . . . . 3.57 110.77 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.62 125.16 18.14 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.513 2.142 . . . . 2.88 112.186 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.4 p -133.14 176.58 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 2.26 110.823 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.655 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -84.25 112.91 20.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 2.44 110.768 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 31' ' ' VAL . 4.7 mp -91.71 106.44 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.961 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.533 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -113.13 129.49 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 1.51 111.193 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 m -60.9 -19.97 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 1.95 110.726 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -82.53 -41.11 20.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 3.43 111.583 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -74.81 -19.66 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 1.73 111.092 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.52 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 1.29 110.772 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -128.19 144.65 51.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.372 . . . . 3.53 111.13 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -81.25 98.12 7.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 4.17 110.724 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -117.15 92.27 39.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 3.04 111.417 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.88 86.08 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.426 2.084 . . . . 2.3 112.179 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.3 p -89.76 -42.48 11.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 3.07 111.099 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.3 mt -145.66 87.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.08 111.179 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.59 149.05 95.42 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.839 -0.619 . . . . 4.28 110.879 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 39.1 Cg_endo -67.04 126.94 15.95 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.485 2.123 . . . . 2.41 112.449 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.0 -49.38 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 5.24 111.124 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -132.81 135.81 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 2.67 111.356 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG13 ' HG ' ' A' ' 79' ' ' LEU . 61.6 t -145.16 130.18 13.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.863 -0.608 . . . . 2.44 110.412 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.3 t -107.16 135.01 49.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 2.58 111.319 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -169.7 40.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 4.87 110.797 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -91.58 -43.43 9.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.11 -0.495 . . . . 4.17 110.463 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -85.11 -9.03 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 4.62 110.331 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -48.1 120.19 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.968 -0.56 . . . . 1.97 110.991 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -160.1 144.87 14.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 1.9 111.603 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.7 p -103.14 162.05 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 1.87 110.123 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.6 mt -120.7 -39.04 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.68 -0.236 . . . . 3.58 111.516 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -171.09 158.7 5.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 4.62 111.183 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 68' ' ' VAL . 4.9 mp -132.42 116.01 27.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.72 110.793 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -101.83 152.38 20.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.572 -0.286 . . . . 2.58 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' ND2' HG21 ' A' ' 166' ' ' ILE . 2.1 m-20 -103.69 153.4 20.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.258 -0.428 . . . . 1.94 111.259 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -106.54 18.65 21.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.918 -0.583 . . . . 3.13 111.005 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 97.71 10.88 52.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 2.64 112.474 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.611 ' HA ' ' HG2' ' A' ' 169' ' ' LYS . 23.7 p80 -176.89 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.711 0.291 . . . . 4.34 110.784 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.08 21.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 2.12 110.605 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -142.69 138.12 30.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 3.39 111.564 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 3.6 p-10 -117.09 148.25 41.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 2.57 110.609 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.431 ' HA ' HG13 ' A' ' 59' ' ' ILE . 13.3 p -81.4 147.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 1.95 111.424 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -110.15 145.01 37.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 3.84 110.86 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -120.45 145.14 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 4.12 110.521 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.35 149.84 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 3.04 110.78 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -86.34 33.69 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 3.88 111.59 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -89.63 -0.12 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 3.2 111.013 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 60.71 176.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.184 -0.462 . . . . 4.06 111.085 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 39.38 51.11 2.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 2.84 111.643 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.619 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 15.4 tppt? -86.26 -58.72 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.26 110.922 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -160.11 119.75 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 1.42 111.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -128.15 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.006 -0.543 . . . . 1.72 110.558 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HG ' HG13 ' A' ' 49' ' ' VAL . 5.3 mp -127.0 151.52 48.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 2.3 111.347 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -159.37 165.8 32.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 2.67 110.533 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -132.11 86.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 2.5 112.849 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.74 -178.13 16.49 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.628 -0.796 . . . . 2.63 112.633 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.09 0.85 9.3 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.459 2.106 . . . . 4.13 111.962 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.1 140.93 36.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 3.0 110.783 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.33 11.8 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 5.04 110.7 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 44.34 1.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 1.92 112.344 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 t -54.28 142.92 24.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 1.68 111.253 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -97.72 133.71 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 3.43 110.65 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.84 146.95 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 3.79 111.345 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 2.52 110.445 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.6 ' HB ' HG23 ' A' ' 121' ' ' VAL . 3.5 mp -102.85 -71.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 2.47 111.541 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' HG22 ' A' ' 91' ' ' ILE . 14.2 pt20 -159.33 171.92 18.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.82 0.343 . . . . 2.41 111.131 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 40.2 p90 -148.02 146.38 28.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.57 111.114 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -120.5 169.58 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.873 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 118' ' ' LEU . 2.3 m-85 -109.71 149.51 29.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 3.19 111.089 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -113.21 169.82 8.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.982 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -176.05 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 5.75 110.749 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 241' ' ' VAL . . . -136.44 7.44 3.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.52 -0.848 . . . . 3.04 113.244 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 -35.3 7.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.918 0.359 . . . . 4.29 111.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.2 mt -154.22 117.47 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 5.2 110.423 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.72 83.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 5.33 110.521 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.16 -45.72 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 4.18 112.293 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -139.15 131.87 29.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 4.67 110.9 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.484 ' HA2' ' HG3' ' A' ' 113' ' ' LYS . . . 72.55 -11.99 3.84 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.79 -0.719 . . . . 1.95 113.119 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.1 t 64.59 133.04 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.014 0.435 . . . . 2.04 111.245 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.86 -13.75 17.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 2.64 110.744 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -100.66 175.07 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 2.11 110.586 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 61.4 m -82.11 127.27 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.88 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.1 m -83.51 159.54 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.24 111.54 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.16 74.72 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.644 -0.707 . . . . 2.18 110.136 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 67.62 -2.41 1.35 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.9 -0.591 . . . . 3.37 111.288 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HD2' ' HD3' ' A' ' 148' ' ' LYS . 53.0 pttt -136.41 120.71 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 3.86 110.821 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HG3' ' HA2' ' A' ' 104' ' ' GLY . 24.7 ttmm -80.39 149.32 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.956 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.93 98.98 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 2.18 110.332 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.84 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 1.72 111.098 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -123.93 168.04 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.55 110.569 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 43.2 mt-10 -150.48 141.6 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.868 0.366 . . . . 2.4 111.566 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.601 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.5 mt -86.57 148.17 25.62 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.081 -0.509 . . . . 2.07 110.41 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 97.74 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 1.71 111.264 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.571 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 8.3 mp -89.39 134.55 34.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.406 . . . . 2.51 110.29 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.6 HG23 ' HB ' ' A' ' 91' ' ' ILE . 7.2 m -103.26 121.64 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.83 111.444 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -131.71 158.57 40.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.033 -0.53 . . . . 2.43 110.749 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -169.86 143.51 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 3.95 110.608 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.22 127.87 33.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 2.19 111.097 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 t -74.52 -14.69 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.77 110.917 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.84 -26.88 59.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 3.65 110.941 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -79.61 -27.85 41.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 4.38 111.042 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.79 -71.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 2.22 112.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.39 172.04 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 3.07 110.945 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -55.73 -37.78 68.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 3.08 110.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.82 68.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.843 -0.694 . . . . 2.36 112.565 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -88.89 -25.16 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 3.63 110.754 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.79 -39.91 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 1.73 111.132 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.65 -11.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 2.3 111.29 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.08 -10.45 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 3.84 110.773 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -138.2 129.57 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.01 -0.541 . . . . 3.22 110.512 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.45 -32.69 24.79 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 2.44 112.282 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -106.91 26.59 9.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 2.64 110.69 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -99.88 -18.27 23.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.797 -0.716 . . . . 1.49 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.5 pt? -126.48 151.61 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.76 110.907 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.3 135.37 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 206' ' ' VAL . 27.8 t -105.52 121.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 1.3 111.077 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.5 mm? -85.94 106.36 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 2.1 111.15 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -100.15 109.9 3.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.902 -0.666 . . . . 1.4 112.251 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.609 HD11 ' HG ' ' A' ' 211' ' ' LEU . 48.6 mm -104.28 143.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 1.53 111.292 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 53.2 p90 -108.54 151.44 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 4.48 110.96 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.0 mt -122.36 119.84 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 3.25 110.613 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.42 ' HD3' ' HD2' ' A' ' 112' ' ' LYS . 63.2 pttt -114.18 138.36 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 4.32 110.994 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.88 135.89 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 3.13 110.726 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.9 -167.63 20.94 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.936 -0.65 . . . . 3.15 111.838 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.0 m 55.95 53.97 8.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.073 0.463 . . . . 3.85 110.392 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.28 117.26 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 3.82 111.518 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 36.8 ttmt -102.25 136.6 19.39 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.155 -0.475 . . . . 5.19 110.648 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.35 -29.98 7.14 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.507 2.138 . . . . 3.09 112.54 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.21 2.8 68.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 2.71 112.834 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 45.4 tp -68.32 -12.49 61.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 3.94 110.695 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.33 -21.58 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 3.55 110.689 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -50.43 -47.13 56.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 4.82 111.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 162' ' ' VAL . 11.8 p -84.45 -22.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.311 -0.404 . . . . 3.12 111.237 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.89 -32.06 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 3.14 111.131 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -73.67 -49.24 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 3.01 110.896 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 159' ' ' VAL . 12.1 p -66.39 -24.3 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 2.46 110.903 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.73 -39.14 93.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 2.31 111.219 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.59 -12.46 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 2.42 110.873 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.9 m -83.19 -34.18 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 1.85 111.139 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.427 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -104.31 51.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.891 0.377 . . . . 2.44 110.84 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 168' ' ' THR . 9.4 ptpp? -50.4 -41.67 52.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.142 -0.481 . . . . 3.75 110.772 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 p -111.3 144.73 40.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 2.36 110.616 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -66.56 146.07 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 3.46 111.107 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.68 -25.36 15.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.838 -0.696 . . . . 2.2 112.446 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.03 176.89 9.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 3.33 111.073 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 36.5 t -135.81 172.93 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.818 -0.628 . . . . 2.27 110.984 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.09 142.57 18.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.89 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -92.5 134.04 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 3.74 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -156.16 107.39 2.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 4.47 110.611 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.9 t -128.67 -178.66 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 4.59 111.079 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 64.34 57.19 1.21 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.023 0.44 . . . . 6.35 111.219 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -87.12 139.67 30.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.459 . . . . 4.67 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.69 112.44 34.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 3.92 111.229 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.25 -7.86 13.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.556 2.171 . . . . 4.59 112.549 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -66.28 -30.08 70.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.383 -0.372 . . . . 8.64 110.976 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -74.72 2.35 48.98 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.686 -0.769 . . . . 3.43 112.575 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 95.1 mt -111.98 19.1 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.681 0.277 . . . . 5.71 110.99 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 2.5 pt? -55.85 145.83 50.68 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 4.53 110.718 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 15.6 Cg_exo -68.58 126.89 14.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.593 2.195 . . . . 3.71 112.41 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.83 -45.7 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 6.38 110.746 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.8 m -151.82 159.43 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 5.07 110.781 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 74.4 mt -93.85 59.06 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 4.32 110.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -147.95 168.47 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 3.78 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -139.94 -179.94 6.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 3.36 110.778 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.669 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 8.3 t-105 -145.07 111.49 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 4.16 110.251 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.8 t -114.79 153.63 30.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 1.5 111.185 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -160.34 87.08 1.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 2.91 110.923 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.622 ' HA ' HG23 ' A' ' 207' ' ' THR . 36.4 Cg_endo -65.57 127.72 18.62 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.192 1.928 . . . . 1.48 111.981 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.77 -166.78 15.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 1.64 112.715 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.33 -0.283 0 CA-C-O 120.676 0.274 . . . . 2.75 110.874 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.827 0.346 . . . . 5.02 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.58 14.49 29.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 3.98 110.82 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 6.23 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 2.48 110.541 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 206' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 142' ' ' VAL . 16.2 t -125.05 121.45 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 1.8 111.031 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.622 HG23 ' HA ' ' A' ' 194' ' ' PRO . 30.9 m -113.04 146.49 39.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 1.27 110.963 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.83 108.65 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 2.43 111.124 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -115.39 146.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 1.45 110.692 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 21.6 t -122.32 137.07 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.12 111.11 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 145' ' ' ILE . 63.4 mt -64.86 167.61 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 3.85 110.938 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -68.59 -28.99 67.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 5.85 111.268 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.27 90.79 50.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 5.91 111.124 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.04 127.45 16.02 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.389 2.06 . . . . 3.58 112.132 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 19.2 tt -82.31 151.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 4.42 111.178 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 77.9 p -131.34 165.84 22.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 3.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.32 147.5 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 2.45 111.224 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 51.7 m -92.73 150.59 20.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 3.39 110.806 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 222' ' ' VAL . 39.7 t -70.83 -13.25 61.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 2.82 110.967 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.13 -35.61 41.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 4.51 111.479 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 221' ' ' GLN . . . . . 0.531 ' NE2' HD21 ' A' ' 156' ' ' LEU . 3.2 pt20 -80.22 -36.85 34.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.7 0.286 . . . . 3.92 111.197 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 219' ' ' SER . 18.1 m -76.84 -6.5 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.39 . . . . 2.44 110.732 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.92 -35.51 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 2.8 110.209 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -75.48 -24.93 56.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.833 -0.621 . . . . 3.78 110.739 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -63.39 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 3.33 110.74 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.37 -33.91 74.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 4.82 110.667 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -75.3 -23.91 57.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 3.25 110.69 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 86.5 mt -88.03 162.13 16.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.025 -0.534 . . . . 2.93 110.821 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.11 145.96 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 2.92 110.598 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -73.2 3.1 6.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 5.3 111.177 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.608 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.85 0.357 . . . . 5.11 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.569 ' HG3' HG12 ' A' ' 241' ' ' VAL . 25.6 ptt? -54.1 -30.98 50.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.876 -0.602 . . . . 5.21 111.192 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 240' ' ' MET . 8.2 p -158.84 149.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 3.44 110.988 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -149.08 26.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 3.67 110.364 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 243' ' ' ASN . . . . . 0.451 ' H ' HG22 ' A' ' 241' ' ' VAL . 3.0 t-20 -129.53 34.34 4.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 3.74 111.171 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -97.1 132.75 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 3.25 110.896 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -141.11 150.9 60.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 3.78 111.117 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.16 136.51 20.18 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.582 2.188 . . . . 2.43 112.362 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -93.63 164.76 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 3.18 111.527 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -129.53 99.42 20.97 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 5.35 110.241 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.14 123.84 11.78 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.318 2.012 . . . . 4.02 112.591 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.424 HD23 ' HG2' ' A' ' 253' ' ' ARG . 56.1 tp -80.03 -40.29 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 3.94 110.635 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.6 29.26 13.13 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.612 -0.722 . . . . 6.83 111.177 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -127.52 -56.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 5.02 111.126 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 253' ' ' ARG . . . . . 0.424 ' HG2' HD23 ' A' ' 250' ' ' LEU . 5.2 mmp_? -74.47 143.94 44.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 5.82 111.172 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.47 168.6 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 3.22 110.891 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.4 mp -105.53 111.51 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 2.02 110.838 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.95 103.01 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 2.91 110.795 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.669 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -125.44 168.34 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.46 111.006 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.6 t -78.37 -13.48 59.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 2.32 110.194 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -111.73 154.52 24.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.3 110.575 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.902 . . . . 4.59 111.21 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.453 0.168 . . . . 3.57 111.29 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . 34.8 Cg_endo -66.06 128.17 19.1 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.527 2.151 . . . . 2.88 112.49 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 32' ' ' ASP . 21.7 t -127.07 166.18 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.03 -0.532 . . . . 2.26 110.26 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.525 ' N ' HG12 ' A' ' 31' ' ' VAL . 13.1 t70 -88.8 98.46 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.885 0.374 . . . . 2.44 110.5 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -81.5 137.63 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.04 129.31 55.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 1.51 111.051 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -80.16 -34.59 37.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.847 -0.615 . . . . 1.95 110.807 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -64.46 -39.86 94.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 3.43 110.736 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.2 p -81.46 -21.59 38.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 1.73 110.869 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.02 152.76 31.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.513 . . . . 1.29 111.089 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -132.89 128.71 37.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.398 -0.365 . . . . 3.53 110.799 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 41.4 p90 -94.55 134.74 36.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 4.17 110.983 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.529 ' H ' ' HA ' ' A' ' 258' ' ' SER . 3.3 p30 -130.19 127.42 22.58 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.243 -0.435 . . . . 3.04 110.972 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.09 32.74 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.445 2.096 . . . . 2.3 112.55 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -66.62 -17.83 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 3.07 111.233 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.621 HD11 ' HA3' ' A' ' 81' ' ' GLY . 52.2 tp -132.35 124.59 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 3.08 111.053 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -108.74 138.91 20.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 4.28 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.75 125.45 17.26 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.219 1.946 . . . . 2.41 111.743 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -103.5 -66.39 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 5.24 110.695 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.8 m -135.72 109.83 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 2.67 110.768 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG22 HD12 ' A' ' 79' ' ' LEU . 45.7 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 2.44 111.363 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -113.53 149.02 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 2.58 110.467 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -175.06 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 4.87 111.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.86 -25.55 63.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 4.17 110.429 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.55 -15.66 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 4.62 110.841 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -53.53 125.27 17.48 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.268 -0.424 . . . . 1.97 110.873 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 m -125.59 143.3 51.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 1.9 111.468 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.4 t -96.41 153.9 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 1.87 110.501 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 71' ' ' ASP . 57.9 mt -92.04 -38.78 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 3.58 111.138 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 172' ' ' SER . 11.1 ptm180 -179.49 162.12 1.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.213 -0.449 . . . . 4.62 111.075 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.465 HG12 HG12 ' A' ' 68' ' ' VAL . 50.3 mt -122.57 103.35 13.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 1.72 110.386 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 61' ' ' ASN . 3.3 tm? -113.71 133.87 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 2.58 110.765 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 m-20 -107.8 155.13 20.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 1.94 110.722 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 3.13 110.895 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.24 -4.22 64.65 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.683 -0.77 . . . . 2.64 112.03 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -139.47 -68.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 4.34 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.79 154.56 34.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 2.12 111.071 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -164.65 145.12 7.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 3.39 110.47 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.432 ' HB2' ' OE1' ' A' ' 92' ' ' GLN . 1.8 m-20 -81.17 143.37 32.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 2.57 110.671 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 59' ' ' ILE . 3.7 m -76.04 116.78 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 1.95 111.278 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 10.5 pt-20 -100.12 147.8 25.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 3.84 111.107 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.55 175.97 5.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 4.12 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HB2' HD21 ' A' ' 57' ' ' LEU . 20.8 t70 -64.38 132.03 48.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 3.04 110.835 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.52 -19.73 15.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 3.88 111.466 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -71.77 -14.74 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 3.2 111.015 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -131.34 -173.34 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 4.06 110.651 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.91 105.68 3.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 2.84 111.065 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 pttm -129.62 28.94 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 3.26 110.958 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -161.36 118.03 2.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 1.42 110.757 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.71 167.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 1.72 111.336 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 64.2 tp -148.26 124.87 11.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 2.3 111.219 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -157.56 138.94 13.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 2.67 110.823 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.621 ' HA3' HD11 ' A' ' 44' ' ' LEU . . . -91.79 -176.3 42.69 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.912 -0.661 . . . . 2.5 112.689 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.68 -88.86 0.02 OUTLIER Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.021 -0.609 . . . . 2.63 113.009 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' HD2' HD12 ' A' ' 44' ' ' LEU . 19.7 Cg_endo -59.81 -14.94 29.5 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.572 2.182 . . . . 4.13 112.586 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.447 HD12 ' HA3' ' A' ' 81' ' ' GLY . 75.1 mt -71.8 132.6 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 3.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.4 65.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 5.04 110.513 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.65 92.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.969 -0.634 . . . . 1.92 112.161 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -61.73 141.56 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 1.68 111.55 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 77.3 m-85 -112.03 117.3 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 3.43 110.635 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -88.7 138.55 31.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 3.79 111.046 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.522 HD23 HD11 ' A' ' 120' ' ' LEU . 6.6 mp -85.34 131.5 34.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 2.52 110.571 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.2 mp -103.18 -68.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.469 -0.332 . . . . 2.47 111.216 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 91' ' ' ILE . 9.6 pt20 -159.39 161.8 35.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 2.41 111.187 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.437 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 36.1 p90 -142.73 163.16 33.56 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.843 0.354 . . . . 1.57 110.833 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.6 p-80 -130.51 168.2 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 1.29 110.805 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -128.9 143.12 50.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.19 111.587 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -96.68 170.79 8.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.948 -0.569 . . . . 1.68 110.22 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -148.74 106.28 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.655 -0.248 . . . . 5.75 110.96 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.94 161.39 3.86 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.897 -0.668 . . . . 3.04 112.718 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.1 t -77.17 -28.29 54.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 4.29 111.017 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 103' ' ' GLN . 52.1 tp -89.47 153.35 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 5.2 110.757 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.73 39.74 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 5.33 111.009 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.84 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 4.18 112.538 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.2 pt20 -164.58 162.4 21.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 4.67 111.064 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.0 62.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.74 -0.743 . . . . 1.95 112.722 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -101.02 177.28 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.697 0.284 . . . . 2.04 110.722 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 43.0 mt-10 -80.97 -73.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 2.64 110.986 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -66.7 172.66 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 2.11 110.827 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.6 m -153.17 98.36 2.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.45 HG22 ' HE2' ' A' ' 114' ' ' TYR . 21.3 m -95.64 145.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 2.24 111.331 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.9 t70 53.17 32.77 13.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 2.18 110.937 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 24.94 10.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 3.37 111.391 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -121.2 117.93 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 3.86 110.853 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -89.11 147.77 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 2.57 110.693 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HE2' HG22 ' A' ' 109' ' ' VAL . 70.7 m-85 -112.68 174.31 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 2.18 110.908 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -72.75 -43.15 63.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 1.72 110.76 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -167.43 177.89 5.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.568 . . . . 1.55 110.743 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 49.4 mt-10 -150.04 136.6 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 2.4 110.902 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 147' ' ' LEU . 3.6 pp -86.55 147.87 25.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.08 -0.341 . . . . 2.07 110.08 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.578 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 12.5 m170 -120.3 113.58 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 1.71 111.411 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 90' ' ' LEU . 7.0 tt -104.3 131.78 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 2.51 110.764 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.427 ' N ' HD23 ' A' ' 120' ' ' LEU . 10.5 t -113.88 123.87 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 1.83 111.284 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -131.79 109.55 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 2.43 110.899 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -90.84 142.83 27.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.339 -0.391 . . . . 3.95 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.18 128.58 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 2.19 110.495 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.8 p -68.97 -14.7 63.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 1.77 111.606 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -66.66 -27.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 3.65 110.801 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -96.84 -12.02 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 4.38 110.849 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.48 -60.19 4.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.744 . . . . 2.22 112.556 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -136.36 163.28 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 3.07 110.995 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 30.8 p90 -61.44 -19.4 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 3.08 111.15 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.42 -46.91 93.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.613 -0.804 . . . . 2.36 112.607 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -89.78 -17.45 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 3.63 111.0 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -74.1 -41.62 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 1.73 111.35 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 130' ' ' PHE . 22.0 m -61.52 -11.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 2.3 111.699 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -72.18 -26.7 62.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 3.84 110.607 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -112.96 151.07 43.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.733 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.48 -31.27 61.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.525 2.15 . . . . 2.44 112.05 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -107.66 10.34 29.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.64 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -55.63 -42.36 84.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.878 -0.677 . . . . 1.49 112.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.5 pt? -140.23 146.68 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 1.76 111.176 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 156.68 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 0.98 110.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.39 116.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 1.3 111.915 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 63.8 tp -85.64 140.02 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 2.1 110.343 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.49 135.49 8.08 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.513 -0.851 . . . . 1.4 112.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.5 mt -126.7 142.41 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.53 110.61 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 72.9 m-85 -81.9 160.05 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 4.48 111.195 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 118' ' ' LEU . 79.4 mt -141.36 96.69 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.007 -0.542 . . . . 3.25 110.84 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -115.14 150.1 36.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 4.32 110.989 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.16 152.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 3.13 110.981 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.88 -176.85 18.18 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.639 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m 66.03 138.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.021 0.438 . . . . 3.85 111.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.65 166.47 21.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 3.82 111.148 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 39.7 ttmt -108.15 138.77 20.22 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.462 . . . . 5.19 110.656 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 27.1 Cg_exo -62.65 0.24 1.59 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.666 2.244 . . . . 3.09 112.764 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.31 34.14 4.31 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.589 -0.815 . . . . 2.71 113.086 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 159' ' ' VAL . 4.0 mm? -106.51 21.62 17.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 3.94 110.48 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.11 -43.05 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 3.55 111.495 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -61.16 -36.41 79.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 4.82 111.229 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 156' ' ' LEU . 84.3 t -63.12 -43.68 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 3.12 111.459 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.78 -13.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.467 -0.333 . . . . 3.14 111.6 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -55.24 -19.41 8.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.953 0.406 . . . . 3.01 111.173 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 176' ' ' THR . 11.2 p -56.35 -17.91 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 2.46 111.974 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -60.8 -26.68 67.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 2.31 111.404 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.69 -12.23 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 2.42 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.4 t -77.37 -27.56 52.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 1.85 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 171' ' ' LYS . 3.1 mp -101.7 51.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 2.44 111.362 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -54.53 -48.3 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 3.75 110.253 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.0 p -100.43 154.65 18.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.821 -0.627 . . . . 2.36 110.613 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 239' ' ' LEU . 11.7 mptt -79.72 143.2 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 3.46 110.69 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 6.82 23.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 2.2 112.681 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 166' ' ' ILE . 17.7 tppt? -108.77 152.21 25.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 3.33 110.628 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' SER . . . . . 0.599 ' HB3' HH21 ' A' ' 58' ' ' ARG . 88.5 p -96.86 146.0 25.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 2.27 110.81 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -98.24 144.16 27.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 1.89 111.617 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.76 158.22 22.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.589 . . . . 3.74 110.989 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -47.66 105.04 0.06 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.099 -0.5 . . . . 4.47 110.896 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.601 HG21 HG11 ' A' ' 162' ' ' VAL . 51.6 p -144.52 -172.63 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 4.59 111.398 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 59.6 t30 57.92 57.02 4.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.773 -0.648 . . . . 6.35 111.314 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -105.25 128.47 53.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 4.67 110.817 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.66 77.33 47.41 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 3.92 111.098 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.73 -8.23 22.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 4.59 112.216 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -82.93 -6.77 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 8.64 111.088 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -79.6 62.91 4.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.759 -0.734 . . . . 3.43 112.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 183' ' ' LEU . 6.6 mp -86.37 12.43 10.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 5.71 110.623 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -52.67 147.77 14.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 4.53 111.128 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.46 133.22 14.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.526 2.151 . . . . 3.71 112.512 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.18 -11.21 59.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 6.38 111.059 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 65.0 p -71.21 94.8 1.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.455 . . . . 5.07 110.98 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.628 ' HG ' ' H ' ' A' ' 189' ' ' ASP . 7.3 tp -165.56 -161.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 4.32 110.482 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.628 ' H ' ' HG ' ' A' ' 188' ' ' LEU . 11.1 m-20 -111.42 -179.1 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 3.78 110.847 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 258' ' ' SER . 27.6 p90 -169.85 149.98 3.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.353 -0.385 . . . . 3.36 110.707 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 21.8 m95 -72.51 144.77 47.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 4.16 110.788 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 192' ' ' THR . . . . . 0.516 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 4.8 t -152.41 129.79 11.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.455 -0.338 . . . . 1.5 111.411 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -156.51 127.67 3.66 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.333 -0.394 . . . . 2.91 110.841 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.35 133.75 16.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.376 2.051 . . . . 1.48 112.355 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -108.48 165.8 12.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 1.64 112.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 110.382 -0.229 . . . . 2.75 110.382 179.813 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.614 0.245 . . . . 5.02 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.51 44.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 3.98 111.221 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -98.48 12.36 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.061 0.458 . . . . 2.48 110.155 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.35 133.92 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.568 -0.742 . . . . 1.8 111.128 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 27.0 m -113.15 141.57 46.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 1.27 110.603 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 208' ' ' TRP . . . . . 0.481 ' HH2' ' HE2' ' A' ' 119' ' ' HIS . 26.8 t-105 -102.62 108.27 19.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 2.43 110.549 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -112.18 150.11 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 1.45 110.82 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 210' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 94.1 t -127.69 122.14 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 2.12 110.867 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.645 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 40.9 tp -56.64 143.53 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 3.85 110.721 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.742 ' HD2' ' H ' ' A' ' 212' ' ' LYS . 0.0 OUTLIER -62.77 -21.73 66.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 5.85 111.25 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.645 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 36.8 tt0 -133.78 84.35 44.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 5.91 110.804 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.24 134.34 63.62 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.556 2.171 . . . . 3.58 112.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.1 mt -74.74 147.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.5 . . . . 4.42 110.89 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 84.3 p -134.26 144.51 48.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.976 0.417 . . . . 3.53 111.245 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 218' ' ' SER . 13.5 p -101.67 159.78 4.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 2.45 110.295 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 217' ' ' VAL . 70.4 m -103.99 150.55 24.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 3.39 111.051 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 79.7 p -60.51 -18.0 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 2.82 110.833 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.0 -22.71 27.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 4.51 110.753 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -77.43 -28.68 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 3.92 111.094 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.24 -20.43 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 2.44 111.149 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 219' ' ' SER . 94.3 mt -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 2.8 110.807 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.28 -14.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 3.78 110.951 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -77.02 -22.38 53.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 3.33 110.551 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -70.31 -5.79 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 4.82 111.219 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -69.06 -25.92 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 3.25 110.927 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.04 162.22 29.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 2.93 110.845 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 229' ' ' ASN . . . . . 0.487 ' H ' ' NZ ' ' A' ' 169' ' ' LYS . 58.5 m-20 -111.4 145.94 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.92 111.268 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.446 ' HB2' ' HG3' ' A' ' 240' ' ' MET . 34.6 p90 -96.63 -15.16 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.085 -0.507 . . . . 5.3 110.914 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.463 0.178 0 CA-C-N 115.914 -0.585 . . . . 4.3 110.601 -179.713 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.49 ' HB3' ' HE2' ' A' ' 169' ' ' LYS . 55.9 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 5.11 111.447 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.446 ' HG3' ' HB2' ' A' ' 230' ' ' PHE . 58.5 ttp -100.15 147.05 26.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 5.21 110.336 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.55 126.61 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 3.44 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -173.5 37.31 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.392 -0.367 . . . . 3.67 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -83.87 55.76 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 3.74 110.966 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -106.56 134.24 50.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.545 . . . . 3.25 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.428 ' HB3' ' HG3' ' A' ' 30' ' ' PRO . 21.7 mmm180 -140.73 153.86 68.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 3.78 110.843 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.42 173.11 4.59 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.553 2.169 . . . . 2.43 112.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 247' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -161.45 43.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 3.18 110.786 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 125.58 80.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 5.35 110.817 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.29 128.01 15.81 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.392 2.062 . . . . 4.02 112.41 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.12 -35.5 42.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 3.94 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.6 tptm 63.22 25.89 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.782 -0.645 . . . . 6.83 110.034 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -127.0 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 5.02 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -71.12 156.39 39.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 5.82 111.334 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -115.5 162.95 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.564 . . . . 3.22 110.764 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.418 HG21 HG23 ' A' ' 33' ' ' ILE . 6.1 tp -116.09 126.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 2.02 110.946 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -96.7 151.15 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 2.91 110.929 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.72 172.48 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 1.46 111.23 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 258' ' ' SER . . . . . 0.529 ' HA ' ' H ' ' A' ' 41' ' ' ASP . 48.4 t -115.02 -13.69 11.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 2.32 110.634 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.44 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 92.7 t80 -111.71 147.42 35.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 3.3 110.592 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.212 -0.899 . . . . 4.59 110.926 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 48.8 m . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.53 0.205 . . . . 3.57 111.259 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 16.2 Cg_exo -69.02 136.33 34.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.814 2.342 . . . . 2.88 112.45 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.625 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.5 p -131.18 175.5 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.496 . . . . 2.26 110.76 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 31' ' ' VAL . 21.2 t70 -86.39 98.58 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.44 110.332 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.538 HG23 HG12 ' A' ' 255' ' ' ILE . 2.4 mp -73.5 134.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 1.53 111.265 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.502 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.7 m-20 -112.77 129.01 56.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 1.51 110.787 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 m -73.44 -17.39 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 1.95 110.502 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.33 -38.42 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 3.43 111.247 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 34' ' ' ASP . 9.8 t -75.72 -22.38 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.36 . . . . 1.73 111.156 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.95 147.69 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 1.29 110.751 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -105.48 151.23 24.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.951 0.405 . . . . 3.53 111.398 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.552 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 91.9 t80 -87.86 112.22 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.819 -0.628 . . . . 4.17 110.538 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -111.06 99.05 41.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.446 -0.343 . . . . 3.04 111.16 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.75 3.83 7.43 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.449 2.1 . . . . 2.3 112.382 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -69.93 -45.62 67.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 3.07 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.569 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 80.4 mt -70.83 157.9 37.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 3.08 110.801 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -106.79 155.93 38.15 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 4.28 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.25 125.88 11.0 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.486 2.124 . . . . 2.41 112.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 80' ' ' LYS . 21.7 tp -63.75 85.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 5.24 110.939 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.6 m -72.6 109.56 6.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 2.67 110.316 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.19 124.58 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.461 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.6 m -93.69 144.92 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 2.58 110.239 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -168.85 40.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 4.87 111.157 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.16 -28.41 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 4.17 110.218 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -109.83 5.55 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 4.62 110.816 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -58.36 120.89 9.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 1.97 110.858 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 178' ' ' PHE . 57.6 m -157.34 142.63 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 1.9 111.043 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.8 p -91.4 156.44 17.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.596 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 46.6 tp -104.66 -39.09 6.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 3.58 111.254 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -175.95 139.09 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.394 -0.366 . . . . 4.62 111.23 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 tt -121.65 103.54 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.171 0.51 . . . . 1.72 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.64 175.88 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 2.58 111.321 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.442 HD22 ' HG3' ' A' ' 169' ' ' LYS . 2.9 m-20 -116.36 158.67 23.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.818 -0.628 . . . . 1.94 110.455 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -106.37 23.77 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.415 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.07 14.43 82.25 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.279 -0.963 . . . . 2.64 111.976 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -167.61 -53.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 4.34 110.76 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.09 145.72 48.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 2.12 110.733 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -120.82 136.45 54.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 3.39 111.695 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 87.9 m-20 -133.39 153.21 51.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.841 -0.618 . . . . 2.57 110.43 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 93' ' ' PHE . 2.3 t -89.48 124.54 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.599 -0.273 . . . . 1.95 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -104.84 132.27 51.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 3.84 110.954 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -103.63 164.65 11.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 4.12 110.829 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 13.8 t70 -90.04 150.66 22.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.378 -0.374 . . . . 3.04 110.83 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.87 31.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 3.88 111.249 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 t -74.52 -45.01 48.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 3.2 110.94 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -147.97 -169.84 3.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 4.06 110.756 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.18 -21.2 58.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 2.84 110.407 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 71' ' ' ASP . 1.8 mptm? 61.05 -84.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 3.26 111.484 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -135.38 134.03 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 1.42 111.371 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.91 158.44 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 1.72 110.944 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 10.0 mp -113.46 120.74 42.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.412 -0.358 . . . . 2.3 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.47 ' NZ ' HD11 ' A' ' 84' ' ' LEU . 32.4 mmmt -127.33 163.53 23.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.287 -0.415 . . . . 2.67 110.774 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.31 176.3 28.83 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.701 -0.761 . . . . 2.5 112.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 44' ' ' LEU . . . 54.0 -151.36 12.59 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.739 -0.743 . . . . 2.63 112.069 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD3' HD13 ' A' ' 44' ' ' LEU . 36.1 Cg_exo -58.06 87.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.228 1.952 . . . . 4.13 111.373 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.47 HD11 ' NZ ' ' A' ' 80' ' ' LYS . 23.2 tp -66.04 131.47 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 3.0 111.756 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -158.49 36.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.91 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.41 126.61 5.88 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.862 -0.685 . . . . 1.92 111.969 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 t -49.13 125.66 11.14 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 1.68 111.314 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 85.7 m-85 -87.18 124.44 33.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.066 -0.515 . . . . 3.43 111.419 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -103.42 149.63 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 3.79 110.569 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.5 tp -87.29 136.0 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 2.52 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -112.92 -63.87 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.347 -0.388 . . . . 2.47 110.983 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 67' ' ' ASN . 4.1 pt20 -159.24 154.55 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 2.41 110.756 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.533 ' O ' HG23 ' A' ' 68' ' ' VAL . 35.0 p90 -150.17 168.05 25.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.742 0.306 . . . . 1.57 111.039 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 22.8 p-80 -137.27 168.25 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.29 110.445 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' HA ' HD22 ' A' ' 118' ' ' LEU . 37.7 m-85 -111.26 160.34 17.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.056 0.455 . . . . 3.19 112.102 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -127.38 170.97 11.95 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.742 -0.663 . . . . 1.68 110.323 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.493 ' HE1' HG13 ' A' ' 222' ' ' VAL . 38.6 t90 -173.06 100.47 0.13 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.791 0.329 . . . . 5.75 110.936 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.34 169.7 2.81 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.882 -0.675 . . . . 3.04 112.484 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.8 m -68.27 -31.29 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.292 . . . . 4.29 111.199 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.24 133.25 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 5.2 110.594 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.88 30.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 5.33 110.801 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.85 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.882 -0.675 . . . . 4.18 112.351 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 55.9 mt-30 -145.63 133.92 21.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.904 0.383 . . . . 4.67 111.099 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.24 58.49 0.03 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.761 -0.733 . . . . 1.95 112.709 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -100.88 -174.43 2.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 2.04 110.851 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG3' ' HB2' ' A' ' 245' ' ' ARG . 36.3 tt0 -84.83 -80.76 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 2.64 110.725 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -86.71 168.73 13.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 2.11 110.4 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 113' ' ' LYS . 66.2 p -138.7 122.01 17.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.88 111.151 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.9 m -104.37 151.51 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 2.24 110.8 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 54.69 32.76 17.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.18 110.424 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 58.58 25.12 12.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 3.37 111.186 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -121.99 144.39 48.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 3.86 110.809 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' THR . 25.1 ttmm -109.44 151.28 26.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 2.57 110.955 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.38 169.46 8.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.27 -0.423 . . . . 2.18 110.721 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -65.72 -50.01 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.689 0.28 . . . . 1.72 111.35 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.84 -177.6 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 1.55 111.068 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -152.19 120.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 2.4 110.609 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 95' ' ' PHE . 39.4 mt -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 2.07 111.132 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.2 m170 -105.8 104.16 13.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.152 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 120' ' ' LEU . 6.6 mp -113.8 110.81 20.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 2.51 110.67 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.04 147.44 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 1.83 111.297 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -131.69 120.17 22.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.817 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.552 ' HB2' HG12 ' A' ' 91' ' ' ILE . 10.1 m95 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 3.95 110.987 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.509 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 27.3 p-10 -57.06 129.76 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 2.19 110.754 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.0 t -63.0 -14.72 51.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.989 0.423 . . . . 1.77 111.297 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.509 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 0.1 OUTLIER -58.31 -13.96 6.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.655 -0.702 . . . . 3.65 111.361 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.472 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -77.17 -29.75 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 4.38 111.457 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.24 -65.51 2.69 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.539 -0.839 . . . . 2.22 112.167 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.32 163.23 31.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 3.07 110.895 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -55.18 -43.7 74.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.369 . . . . 3.08 111.392 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.64 -27.4 27.07 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.981 -0.628 . . . . 2.36 112.931 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 75.9 mmtt -89.52 -32.18 17.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.763 0.316 . . . . 3.63 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 140' ' ' LEU . . . -58.73 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 1.73 110.539 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.82 -22.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 2.3 111.101 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -80.94 -21.0 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 3.84 111.056 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -116.28 96.1 46.78 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.397 -0.365 . . . . 3.22 110.762 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' A' ' 204' ' ' GLU . 31.8 Cg_exo -58.29 -44.94 34.19 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.493 2.129 . . . . 2.44 112.584 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.44 15.55 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.408 . . . . 2.64 111.198 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.35 12.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.721 . . . . 1.49 112.507 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 140' ' ' LEU . 2.3 mm? -110.4 122.51 47.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 1.76 110.72 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.33 123.29 41.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.384 . . . . 0.98 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 207' ' ' THR . 40.2 t -90.53 117.87 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.3 111.064 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 79' ' ' LEU . 55.3 tp -85.93 132.46 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 2.1 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -112.4 135.46 12.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 1.4 112.692 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.39 104.27 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 1.53 110.894 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.426 ' O ' HD23 ' A' ' 147' ' ' LEU . 85.5 m-85 -70.42 153.17 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 4.48 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.432 HD11 HD21 ' A' ' 118' ' ' LEU . 68.6 mt -128.52 135.75 49.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 3.25 110.752 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -138.72 143.21 38.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 4.32 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.38 130.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.399 . . . . 3.13 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 142.34 160.25 8.27 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.72 . . . . 3.15 112.072 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.9 t 58.93 77.31 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 3.85 110.543 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.69 161.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 3.82 111.462 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 157' ' ' GLN . 19.7 pttp -66.3 146.73 99.05 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.435 . . . . 5.19 110.733 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.6 19.62 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.522 2.148 . . . . 3.09 112.372 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.83 54.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.872 -0.68 . . . . 2.71 112.337 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.06 28.4 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 3.94 110.486 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 53.0 tt0 -52.5 -43.23 64.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.681 . . . . 3.55 111.47 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 4.82 111.083 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.46 -29.96 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 3.12 110.759 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.36 -22.19 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 3.14 110.926 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -80.35 -19.61 46.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 3.01 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 40.1 t -56.65 -30.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 2.46 111.124 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -32.47 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 2.31 111.111 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.23 -14.26 4.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 2.42 110.734 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -84.58 -31.09 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.075 -0.511 . . . . 1.85 111.03 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -133.77 45.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.016 0.436 . . . . 2.44 111.048 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 227' ' ' LYS . 79.1 tttt -78.55 -45.95 20.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 3.75 111.118 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.3 p -91.33 149.9 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 2.36 111.078 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.5 OUTLIER -80.62 147.28 30.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.988 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.34 -19.91 21.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.938 -0.649 . . . . 2.2 112.435 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -109.33 155.95 20.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 3.33 110.81 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 95.0 p -125.16 164.34 20.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -168.02 135.01 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.331 -0.395 . . . . 1.89 111.063 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.85 137.52 32.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 3.74 110.878 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -146.31 115.35 6.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.371 -0.377 . . . . 4.47 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.2 p -110.78 179.62 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 4.59 110.591 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.65 48.41 18.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 6.35 111.245 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' PHE . . . . . 0.588 ' H ' HG23 ' A' ' 55' ' ' THR . 41.3 t80 -111.56 114.05 26.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 4.67 110.652 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.44 82.86 12.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 3.92 111.225 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.36 -44.37 1.14 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 4.59 112.004 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -87.25 -9.35 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 8.64 110.633 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -55.19 -29.01 51.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.634 -0.793 . . . . 3.43 112.377 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 183' ' ' LEU . 7.1 mp -105.86 -13.89 15.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 5.71 110.836 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.22 138.81 45.33 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.438 . . . . 4.53 110.998 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.63 146.41 16.88 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.648 2.232 . . . . 3.71 112.439 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.56 -12.01 59.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 6.38 111.428 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.9 t 59.11 -173.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.272 -0.422 . . . . 5.07 110.966 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.77 -92.03 0.49 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 4.32 110.704 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 259' ' ' PHE . 5.7 p-10 -61.33 165.69 4.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.593 -0.276 . . . . 3.78 110.53 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -169.45 171.12 7.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.448 . . . . 3.36 111.25 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.577 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 2.6 m-90 -131.1 147.68 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 4.16 109.826 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.3 t -143.69 141.24 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 1.5 111.995 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -121.1 87.56 44.02 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.819 -0.628 . . . . 2.91 110.247 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 194' ' ' PRO . . . . . 0.476 ' HA ' HG23 ' A' ' 207' ' ' THR . 59.0 Cg_exo -50.55 129.5 26.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.575 2.183 . . . . 1.48 112.493 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.6 -156.05 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 1.64 112.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 2.75 110.95 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.071 0.462 . . . . 5.02 111.403 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 204' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 137' ' ' PRO . 11.6 pt-20 -166.95 43.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.665 -0.698 . . . . 3.98 110.331 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 205' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 137' ' ' PRO . 68.0 m -88.64 14.3 10.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 2.48 110.706 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.57 110.78 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 1.8 111.222 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 194' ' ' PRO . 11.4 m -113.11 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.27 110.736 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -109.72 109.93 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 2.43 110.784 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 209' ' ' ILE . . . . . 0.495 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -108.59 145.89 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.45 110.678 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.99 136.49 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 2.12 111.059 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.646 ' HG ' ' H ' ' A' ' 212' ' ' LYS . 11.9 tp -76.2 -177.56 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 3.85 110.501 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 212' ' ' LYS . . . . . 0.646 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 64.3 tttm -61.56 -55.68 28.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.637 0.256 . . . . 5.85 111.09 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -165.84 70.25 1.24 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 5.91 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.7 126.9 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.549 2.166 . . . . 3.58 112.73 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 11.2 pt -154.72 114.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.033 -0.531 . . . . 4.42 110.736 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.3 m -135.36 102.64 5.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 3.53 111.494 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 90.4 t -146.07 136.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 2.45 110.879 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 218' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 222' ' ' VAL . 33.4 t -116.95 177.02 4.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.35 . . . . 3.39 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 37.4 t -80.35 -46.91 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 2.82 110.603 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.74 -18.53 58.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 4.51 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -72.18 -38.38 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 3.92 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.493 HG13 ' HE1' ' A' ' 97' ' ' TRP . 58.7 t -78.58 -27.19 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 2.44 111.233 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 226' ' ' ARG . 42.3 tp -63.93 -18.55 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 2.8 110.943 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -84.99 -31.57 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 3.78 111.015 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.66 -21.11 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 3.33 111.07 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 226' ' ' ARG . . . . . 0.441 ' HD3' HD12 ' A' ' 223' ' ' LEU . 75.5 mtp180 -68.17 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 4.82 110.72 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 227' ' ' LYS . . . . . 0.512 ' HB2' ' NZ ' ' A' ' 167' ' ' LYS . 85.9 mttt -93.57 -15.14 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 3.25 110.828 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.62 158.45 4.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 2.93 110.986 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -139.23 138.3 36.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 2.92 111.117 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 230' ' ' PHE . . . . . 0.484 ' HA ' ' HG2' ' A' ' 240' ' ' MET . 72.7 t80 -61.22 -38.47 86.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.159 -0.473 . . . . 5.3 110.514 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 4.3 110.81 179.721 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 239' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 239' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.605 0.24 . . . . 5.11 110.676 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 240' ' ' MET . . . . . 0.484 ' HG2' ' HA ' ' A' ' 230' ' ' PHE . 0.0 OUTLIER -82.71 44.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 5.21 110.523 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 241' ' ' VAL . . . . . 0.426 HG23 ' OD2' ' A' ' 242' ' ' ASP . 34.1 m -117.74 -173.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 3.44 111.387 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 242' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 241' ' ' VAL . 3.0 m-20 64.93 36.17 7.82 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 3.67 110.681 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -83.84 48.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 3.74 110.906 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -105.3 142.96 34.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 3.25 110.72 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 245' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 40.3 mmt180 -126.57 153.61 75.35 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 3.78 111.252 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.17 154.76 52.13 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.655 2.237 . . . . 2.43 112.622 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.22 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 3.18 110.721 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 248' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 54.2 tt0 -57.44 129.88 80.61 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.621 . . . . 5.35 110.987 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 249' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 22.8 Cg_exo -64.53 124.12 12.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.537 2.158 . . . . 4.02 112.224 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 250' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 31' ' ' VAL . 65.2 mt -78.75 -48.93 13.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.94 110.707 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -166.2 -65.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 6.83 110.697 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -153.56 -66.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.513 . . . . 5.02 110.717 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 63.6 137.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 5.82 111.532 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -102.6 135.54 44.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.061 -0.518 . . . . 3.22 110.764 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 255' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -102.48 129.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 2.02 111.226 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -88.68 87.16 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 2.91 110.588 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.86 167.43 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.46 111.396 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 95.7 p -86.96 -24.94 24.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 2.32 110.454 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 259' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 189' ' ' ASP . 61.3 t80 -111.82 164.22 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 3.3 110.376 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 260' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 68.2 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.189 -0.91 . . . . 4.59 111.266 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.765 0.317 . . . . 32.91 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -63.43 129.49 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 30.03 110.996 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -95.84 104.02 15.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 29.61 110.664 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -63.22 126.47 27.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 26.81 111.007 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -90.15 157.94 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 25.62 110.82 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.82 -18.1 6.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.852 -0.69 . . . . 23.39 112.719 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -124.11 176.95 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 23.38 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.63 64.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.869 -0.681 . . . . 19.99 112.398 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -61.17 -38.89 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 19.34 110.978 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.66 -23.06 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 18.14 110.802 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -82.22 8.07 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 18.74 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.23 -70.01 1.22 Allowed Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.751 -0.738 . . . . 16.42 112.54 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.73 139.03 61.19 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.516 2.144 . . . . 15.7 112.286 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -147.83 128.41 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 15.32 110.934 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.568 ' H ' ' HB2' ' A' ' 18' ' ' LYS . 45.9 m-70 -129.65 179.9 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 15.63 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.5 m-90 -61.58 -50.64 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.441 . . . . 11.72 110.705 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.26 -38.92 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 12.77 110.791 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.568 ' HB2' ' H ' ' A' ' 15' ' ' HIS . 47.5 mmtm -72.77 -12.49 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.94 111.202 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.89 -52.35 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 12.96 110.789 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -93.32 153.65 41.49 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 10.55 110.529 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.4 33.68 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.507 2.138 . . . . 9.69 112.621 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 mm -78.26 -43.36 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.008 0.432 . . . . 8.17 110.552 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.45 -28.65 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 9.4 110.69 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -72.9 -17.13 61.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 13.28 110.715 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.26 71.53 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 8.88 112.487 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -83.43 111.2 18.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 8.92 111.008 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -119.05 16.65 13.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.269 0.557 . . . . 9.6 110.201 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 198' ' ' THR . 43.6 tt0 -62.66 94.29 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.719 -0.673 . . . . 6.33 110.777 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 m -159.08 96.37 1.7 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.411 -0.358 . . . . 3.57 111.005 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 30.0 Cg_endo -63.91 125.05 14.58 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 2.88 112.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 249' ' ' PRO . 10.8 p -147.22 148.37 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 2.26 111.178 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.13 138.04 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 2.44 110.7 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HB ' HG12 ' A' ' 109' ' ' VAL . 3.5 mp -76.67 130.5 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.53 110.736 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 37' ' ' THR . 10.3 m-20 -113.45 124.91 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 1.51 111.309 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -80.37 -32.06 37.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.83 -0.623 . . . . 1.95 111.371 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -63.95 -37.85 88.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 3.43 111.569 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -87.37 -15.98 36.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 1.73 111.495 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.74 156.65 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 1.29 111.076 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -134.22 136.46 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 3.53 110.855 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -69.91 128.34 36.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 4.17 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.11 91.13 40.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 3.04 111.092 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.48 29.29 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.176 . . . . 2.3 112.525 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -77.27 -30.49 54.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.869 0.366 . . . . 3.07 110.898 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.23 160.65 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 3.08 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.48 114.92 63.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 4.28 110.78 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.77 125.78 17.43 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.263 1.975 . . . . 2.41 112.181 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -138.31 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 5.24 110.785 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.5 p -108.19 128.97 55.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 2.67 110.88 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.46 154.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 2.44 110.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -110.79 151.24 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 2.58 110.876 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -173.95 37.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 4.87 111.365 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.5 -29.09 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 4.17 110.727 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 76' ' ' LYS . 12.1 mm100 -92.74 -11.42 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.563 . . . . 4.62 111.359 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.533 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.68 120.44 5.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 1.97 111.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -156.65 145.55 20.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 1.9 111.374 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -93.46 164.13 13.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 1.87 110.714 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -122.62 -39.27 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 3.58 111.257 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.7 ptt180 -168.53 169.74 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 4.62 111.113 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.56 121.26 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 1.72 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 172' ' ' SER . 31.5 tp -112.4 139.66 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 2.58 110.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.8 m-20 -100.8 155.63 17.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.247 -0.433 . . . . 1.94 111.125 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -106.74 19.55 20.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 3.13 111.172 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 82.5 14.07 76.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.435 -0.888 . . . . 2.64 112.253 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -175.03 -49.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 4.34 110.603 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.83 137.68 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 2.12 110.467 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 55.4 p90 -126.04 155.49 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 3.39 111.612 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 94' ' ' HIS . 3.1 m-80 -129.27 151.49 49.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.629 -0.714 . . . . 2.57 109.976 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 17.7 m -85.85 129.65 37.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.704 0.288 . . . . 1.95 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.45 150.02 21.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 3.84 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -129.6 160.9 31.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 4.12 110.792 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.89 95.55 9.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.398 -0.365 . . . . 3.04 110.949 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 27.1 t70 -76.04 -1.26 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 3.88 110.94 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.3 p -70.82 -0.19 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 3.2 111.193 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -144.6 177.82 8.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.323 -0.398 . . . . 4.06 111.068 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -88.74 77.99 7.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.206 -0.452 . . . . 2.84 111.196 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 41.5 mtmt -64.29 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 3.26 111.335 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -138.75 141.71 38.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 1.42 111.065 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.88 144.87 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.72 111.021 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.64 139.52 48.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 2.3 110.876 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -157.43 147.72 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.995 0.426 . . . . 2.67 110.97 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.17 127.92 1.9 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.973 -0.632 . . . . 2.5 112.035 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.74 -165.56 12.06 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.588 -0.815 . . . . 2.63 112.446 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.97 9.9 3.38 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.756 2.304 . . . . 4.13 112.585 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.31 149.1 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 3.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -105.01 17.31 24.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.357 -0.383 . . . . 5.04 111.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.23 143.87 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 1.92 112.614 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -66.06 156.7 33.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 1.68 111.064 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.521 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 91.1 m-85 -114.49 125.24 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 3.43 111.304 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -103.54 145.66 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 3.79 111.198 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -104.74 143.45 33.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 2.52 110.684 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -120.89 -46.04 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.526 0.565 . . . . 2.47 112.526 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.509 ' N ' HG12 ' A' ' 91' ' ' ILE . 26.5 pt20 -157.02 165.84 35.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.894 0.378 . . . . 2.41 111.675 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 44.7 p90 -156.48 161.78 40.01 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.045 -0.525 . . . . 1.57 110.891 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.416 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 p-80 -139.95 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 1.29 110.311 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.544 ' HB3' HD23 ' A' ' 118' ' ' LEU . 30.5 p90 -121.71 144.24 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 3.19 111.452 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 243' ' ' ASN . 11.0 m80 -94.9 173.84 7.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.984 -0.553 . . . . 1.68 109.939 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.573 ' HB2' ' HA ' ' A' ' 241' ' ' VAL . 10.5 m-90 -126.72 179.97 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.811 0.339 . . . . 5.75 111.126 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.7 158.38 21.8 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.998 -0.62 . . . . 3.04 112.408 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.6 m -84.67 -24.48 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.658 0.266 . . . . 4.29 111.291 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 5.2 111.099 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -87.21 38.12 0.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.042 -0.526 . . . . 5.33 111.105 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.8 -33.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.672 -0.775 . . . . 4.18 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -153.95 169.81 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 4.67 110.779 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.59 55.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.682 -0.77 . . . . 1.95 112.803 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 t -97.01 179.3 4.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.646 0.26 . . . . 2.04 110.58 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.74 -75.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 2.64 110.693 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.61 169.6 9.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.11 110.518 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.5 p -129.87 118.4 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 1.88 110.982 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 33' ' ' ILE . 25.5 m -103.0 150.02 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 2.24 111.097 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.4 t70 52.41 39.37 27.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 2.18 110.749 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 55.66 20.8 4.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 3.37 111.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -121.63 150.14 42.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 3.86 110.554 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -120.73 143.8 48.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 2.57 111.083 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.11 176.4 5.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 2.18 110.651 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.94 -44.22 13.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.724 0.297 . . . . 1.72 111.23 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.71 166.78 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.55 110.986 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 8.8 pt-20 -152.26 148.56 27.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.809 0.338 . . . . 2.4 111.315 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.606 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 96.2 mt -86.58 148.08 25.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 2.07 110.899 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -122.36 95.35 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.162 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.53 HD23 HD23 ' A' ' 143' ' ' LEU . 54.2 tp -99.15 108.95 21.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.378 . . . . 2.51 111.242 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -92.65 130.51 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.83 110.773 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.521 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 9.4 p80 -131.79 153.41 50.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 2.43 110.945 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -133.8 134.54 42.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 3.95 110.652 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -58.1 111.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 2.19 110.704 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 t -71.94 -14.98 62.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 1.77 111.36 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -64.06 -32.02 73.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 3.65 110.632 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -90.83 7.81 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.576 . . . . 4.38 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.88 -76.49 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 2.22 112.404 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.78 168.09 20.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 3.07 110.796 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -56.55 -23.13 38.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 3.08 110.806 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.32 91.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 2.36 112.154 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -89.8 -21.12 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 3.63 110.664 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.76 -39.4 57.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.059 -0.519 . . . . 1.73 111.095 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.48 -12.44 8.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 2.3 111.085 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.31 -14.41 61.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 3.84 110.858 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -138.2 156.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 3.22 110.7 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.36 -51.03 2.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.426 2.084 . . . . 2.44 112.577 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.08 27.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.05 -0.523 . . . . 2.64 111.524 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.07 -72.35 1.13 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.753 -0.737 . . . . 1.49 112.832 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.27 141.16 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 1.76 110.805 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.44 161.65 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.98 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.6 t -120.43 130.24 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 1.3 111.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 209' ' ' ILE . 41.8 tp -93.71 127.52 39.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.177 -0.465 . . . . 2.1 110.444 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -105.99 110.28 3.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.655 -0.783 . . . . 1.4 112.689 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 47.8 mm -100.82 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.627 0.251 . . . . 1.53 111.032 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -114.74 155.21 27.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 4.48 111.027 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 118' ' ' LEU . 78.3 mt -124.94 132.54 53.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 3.25 110.982 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 4.32 110.77 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 131.7 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 3.13 111.109 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -124.85 -14.12 3.51 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.681 -0.771 . . . . 3.15 112.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.1 m 62.38 15.09 7.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.98 0.419 . . . . 3.85 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -120.74 94.26 4.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 3.82 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -56.28 116.68 13.33 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.395 -0.366 . . . . 5.19 110.829 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.81 36.31 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.298 1.999 . . . . 3.09 112.609 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.23 56.13 3.31 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.686 -0.769 . . . . 2.71 112.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.522 HD22 HG21 ' A' ' 159' ' ' VAL . 84.7 mt -120.07 28.49 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 3.94 110.686 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -52.65 -46.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.904 -0.589 . . . . 3.55 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -64.14 -35.0 79.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 4.82 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.522 HG21 HD22 ' A' ' 156' ' ' LEU . 61.0 t -61.63 -25.99 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 3.12 110.959 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.67 -31.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 3.14 111.029 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.85 -44.73 72.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 3.01 110.895 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.76 -22.15 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 2.46 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -36.51 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.567 . . . . 2.31 111.322 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.47 -12.67 4.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 2.42 110.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.3 t -82.2 -31.85 30.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 1.85 111.393 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -103.88 51.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.179 0.514 . . . . 2.44 110.903 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.486 ' HA ' HD22 ' A' ' 228' ' ' LEU . 88.4 tttt -64.17 -41.99 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 3.75 110.951 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.5 p -106.67 148.85 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 2.36 111.155 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 2.4 mptp? -80.57 148.19 30.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 3.46 111.148 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.59 -9.63 26.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.931 -0.652 . . . . 2.2 112.514 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -108.08 176.42 5.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 3.33 111.238 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.425 ' HB3' HD12 ' A' ' 60' ' ' LEU . 91.9 p -142.12 168.39 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.869 -0.605 . . . . 2.27 111.053 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -155.95 125.13 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 1.89 110.744 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.34 121.35 16.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 3.74 111.103 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.569 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 45.5 t80 -144.58 109.01 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 4.47 110.508 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.0 t -114.42 -178.54 3.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 4.59 110.948 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 61.68 56.82 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 6.35 111.246 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -96.3 150.21 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 4.67 110.443 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.47 78.38 11.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 3.92 111.285 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -78.59 -14.32 14.34 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.508 2.139 . . . . 4.59 112.156 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.22 -26.53 33.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 8.64 110.738 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.54 -19.86 36.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.743 . . . . 3.43 112.463 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 -13.08 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.547 0.213 . . . . 5.71 111.358 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 185' ' ' PRO . 46.2 tp -103.13 117.4 60.45 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.675 -0.239 . . . . 4.53 111.27 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.8 Cg_endo -80.04 169.27 17.94 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.483 2.122 . . . . 3.71 112.226 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.16 -43.15 61.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.582 -0.281 . . . . 6.38 111.111 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.2 t 59.09 101.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.846 0.355 . . . . 5.07 111.329 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 85.4 mt -98.99 -53.69 3.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 4.32 110.955 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 8.3 m-20 -104.93 153.08 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 3.78 110.595 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 211' ' ' LEU . 31.0 p90 -169.96 146.52 3.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.753 0.311 . . . . 3.36 111.034 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.586 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -72.57 170.24 14.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 4.16 110.248 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.2 t -147.39 166.76 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 1.5 111.572 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -162.64 75.8 2.04 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 2.91 110.637 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.73 161.16 44.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.461 2.107 . . . . 1.48 112.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 156.94 -148.62 18.65 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.664 -0.779 . . . . 1.64 112.638 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 20.3 m -124.39 179.79 4.78 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.744 0.307 . . . . 2.75 110.828 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.2 177.64 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 5.98 110.701 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' THR . . . . . 0.516 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 81.5 p -92.29 11.93 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 5.3 110.592 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 47.5 p -102.67 162.05 21.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.688 . . . . 4.96 110.711 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 76.4 Cg_exo -40.63 154.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.639 2.226 . . . . 5.64 112.542 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.73 101.47 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.534 2.156 . . . . 6.0 112.343 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.499 ' HB2' HD23 ' A' ' 203' ' ' LEU . 86.1 mt -131.94 -56.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 5.41 110.991 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 202' ' ' LEU . 0.9 OUTLIER -141.3 146.04 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 5.02 111.115 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.48 27.33 5.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 3.98 110.425 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.91 35.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.917 -0.583 . . . . 2.48 110.735 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.06 125.31 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 1.8 111.578 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.48 149.16 33.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 1.27 110.499 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -113.93 108.41 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 2.43 110.974 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.601 ' HB ' HD12 ' A' ' 143' ' ' LEU . 7.9 mm -104.47 153.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 1.45 111.007 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 191' ' ' TRP . 3.0 p -142.2 123.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.393 . . . . 2.12 111.043 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 190' ' ' TYR . 86.8 mt -87.48 139.22 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 3.85 111.123 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.538 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 21.9 pttp -71.49 -11.87 61.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.529 . . . . 5.85 111.147 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 19.5 mm-40 -120.48 78.18 27.95 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.436 -0.347 . . . . 5.91 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.89 149.01 86.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.678 2.252 . . . . 3.58 112.114 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.487 HD12 HD12 ' A' ' 118' ' ' LEU . 86.4 mt -68.95 130.28 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 4.42 110.656 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 48.2 t -81.75 142.92 32.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 3.53 111.423 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 67.2 t -142.0 140.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.636 . . . . 2.45 110.504 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 86.2 p -82.56 148.45 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.027 0.442 . . . . 3.39 111.115 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 97.6 p -65.85 -17.51 64.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.842 -0.617 . . . . 2.82 111.029 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.36 -27.96 61.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 4.51 110.75 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 3.92 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.4 -17.96 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 2.44 111.171 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.447 HD12 ' HD3' ' A' ' 226' ' ' ARG . 57.0 tp -64.67 -21.08 66.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 2.8 110.745 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -83.16 -35.57 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 3.78 110.892 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -70.21 -25.04 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 3.33 111.069 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 223' ' ' LEU . 77.0 mtp180 -61.0 -31.59 71.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 4.82 111.2 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -86.14 -15.17 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 3.25 111.38 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 167' ' ' LYS . 84.4 mt -76.73 162.1 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 2.93 111.135 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -81.54 165.84 20.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 2.92 111.123 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 231' ' ' ASN . 46.1 p90 -91.48 -4.94 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 5.3 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 230' ' ' PHE . 48.7 t-20 177.54 72.63 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.169 -0.469 . . . . 4.3 110.728 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 75.5 153.53 4.13 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.832 -0.699 . . . . 4.09 112.858 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.79 157.32 35.37 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 7.57 111.202 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.76 -1.61 45.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.949 -0.643 . . . . 6.31 112.535 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -107.89 152.22 41.55 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.528 0.204 . . . . 5.7 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -51.59 137.44 49.53 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.619 2.213 . . . . 6.54 112.403 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 237' ' ' GLU . 9.7 pt-20 -52.8 99.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 6.78 111.2 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -137.12 150.95 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 5.03 110.878 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.95 146.79 54.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 5.11 111.043 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 19.2 ptp -86.52 2.59 47.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 5.21 111.205 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.8 p -66.64 144.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 3.44 111.09 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.78 38.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 3.67 110.256 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 96' ' ' HIS . 16.0 m120 -135.54 57.0 1.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 3.74 111.603 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -96.56 138.36 34.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 3.25 110.793 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.571 ' HD3' ' HD2' ' A' ' 246' ' ' PRO . 21.7 tpp180 -140.98 129.04 12.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 3.78 111.166 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.571 ' HD2' ' HD3' ' A' ' 245' ' ' ARG . 72.1 Cg_endo -75.43 166.9 27.75 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.338 2.025 . . . . 2.43 111.809 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -173.19 48.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.723 0.297 . . . . 3.18 111.65 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -57.79 130.43 82.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 5.35 110.525 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.589 ' HA ' HG23 ' A' ' 31' ' ' VAL . 83.5 Cg_endo -81.69 123.51 4.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.449 2.099 . . . . 4.02 112.898 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 45.3 tp -80.53 -48.66 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 3.94 110.311 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.75 -52.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.514 -0.766 . . . . 6.83 110.465 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 57.69 90.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 5.02 111.233 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -76.05 -65.56 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 5.82 110.447 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.58 136.15 25.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 3.22 110.436 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.413 HG22 HG23 ' A' ' 37' ' ' THR . 15.3 tt -111.29 135.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 2.02 111.278 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.81 137.4 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 2.91 110.764 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.01 142.86 7.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.364 -0.38 . . . . 1.46 111.248 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 37.9 t -77.9 -20.5 52.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 2.32 110.225 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 91.2 t80 -111.95 147.12 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 3.3 110.559 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.148 -0.929 . . . . 4.59 111.101 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.467 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.808 0.337 . . . . 32.91 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -126.18 -66.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 30.03 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.8 m80 57.85 86.77 0.07 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.142 -0.481 . . . . 29.61 110.988 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -153.43 132.45 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 26.81 110.914 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.93 163.52 16.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 25.62 110.808 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.13 53.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 23.39 112.548 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.37 -61.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 23.38 110.785 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.72 61.93 5.47 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 19.99 112.545 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -77.63 -25.26 49.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 19.34 110.713 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -85.14 -18.54 33.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 18.14 110.685 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -77.01 -13.46 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 18.74 110.65 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.03 144.57 3.95 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.737 -0.744 . . . . 16.42 112.486 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 145.41 35.2 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.537 2.158 . . . . 15.7 112.26 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -142.69 98.37 3.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 15.32 111.036 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -165.45 39.12 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 15.63 111.05 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -73.38 -31.53 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 11.72 111.021 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 11.8 p-80 -79.08 -6.0 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 12.77 111.447 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -85.36 5.87 28.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 15.94 110.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -152.57 -64.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 12.96 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -93.15 146.79 32.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 10.55 110.912 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.88 39.44 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.502 2.135 . . . . 9.69 112.284 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.5 mm -81.68 -55.58 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.465 . . . . 8.17 110.904 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.11 -17.71 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 9.4 111.149 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HE2' ' HB2' ' A' ' 17' ' ' HIS . 17.7 tppt? -70.32 -17.27 63.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.864 0.364 . . . . 13.28 110.488 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.03 -177.22 21.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 8.88 112.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' H ' ' NH2' ' A' ' 253' ' ' ARG . 40.6 mt-10 57.41 91.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 8.92 110.931 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -111.43 15.57 21.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 9.6 110.724 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 61.85 71.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 6.33 110.949 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 75.8 p -124.1 144.36 45.1 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 3.57 110.654 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 18.6 Cg_exo -66.04 124.97 13.35 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.487 2.125 . . . . 2.88 112.37 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.3 p -150.84 172.04 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.26 110.78 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.3 p-10 -91.94 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 2.44 110.601 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.563 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -83.79 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.53 111.099 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -111.16 129.49 55.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 1.51 111.248 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.5 m -56.77 -19.24 15.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 1.95 110.681 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -79.0 -41.11 29.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 3.43 111.41 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.53 -21.35 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 1.73 111.235 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.13 157.78 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.29 111.006 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -126.33 141.87 51.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 3.53 110.777 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -86.87 97.93 10.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 4.17 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 5.6 p-10 -129.24 111.07 18.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 3.04 110.807 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 18.1 Cg_endo -58.97 90.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.504 2.136 . . . . 2.3 112.441 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -74.92 -45.62 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 3.07 110.599 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.69 150.18 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.08 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -107.05 116.32 58.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 4.28 110.907 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.84 125.8 20.18 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.05 1.833 . . . . 2.41 111.453 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.44 -0.345 . . . . 5.24 111.028 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 40.6 t -133.29 140.6 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.67 110.83 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 79' ' ' LEU . 2.9 p -161.88 113.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 2.44 110.94 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 30.7 t -112.04 117.86 33.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 2.58 110.794 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -150.81 22.49 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.238 0.542 . . . . 4.87 110.324 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.47 -39.56 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 4.17 110.37 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.79 -8.65 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 4.62 110.636 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.32 120.45 3.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.282 -0.417 . . . . 1.97 110.8 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 178' ' ' PHE . 48.2 m -148.45 143.38 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.947 0.403 . . . . 1.9 111.369 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -96.84 155.94 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.928 -0.578 . . . . 1.87 110.497 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -111.83 -39.02 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 3.58 111.291 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.3 ptt180 -160.91 165.54 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 4.62 111.08 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 68' ' ' VAL . 6.7 tt -131.72 111.92 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 1.72 110.73 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.09 157.44 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 2.58 111.167 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' CG ' ' H ' ' A' ' 170' ' ' GLY . 12.1 p30 -126.5 157.41 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 1.94 110.778 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -106.5 22.97 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.875 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.44 14.55 65.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.274 -0.965 . . . . 2.64 112.519 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.445 ' HB3' ' ND2' ' A' ' 231' ' ' ASN . 15.6 p80 -168.29 -52.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 4.34 110.747 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.99 147.12 40.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.689 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 59' ' ' ILE . 40.0 p90 -120.47 139.7 52.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.252 -0.431 . . . . 3.39 111.191 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.11 153.09 48.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 2.57 110.818 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' HB ' ' A' ' 59' ' ' ILE . 3.1 m -114.99 116.59 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.95 111.267 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 37.8 tt0 -95.77 149.87 21.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.926 0.393 . . . . 3.84 111.141 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.58 159.69 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 4.12 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 16.0 t70 -83.02 98.08 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 3.04 110.793 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.44 30.64 6.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 3.88 111.144 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.7 m -60.87 -25.91 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.2 111.048 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.7 tp-100 -141.92 -68.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 4.06 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 31.5 m-20 -150.8 137.41 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 2.84 110.703 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.677 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 12.7 tppt? -158.14 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 3.26 110.805 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -141.2 123.63 15.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.42 111.037 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.07 148.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.72 111.01 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' A' ' 90' ' ' LEU . 76.0 mt -117.75 124.54 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.448 -0.342 . . . . 2.3 110.391 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 97.1 mttt -127.04 164.11 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 2.67 111.211 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.79 165.85 20.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.039 -0.601 . . . . 2.5 112.245 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.67 179.36 47.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.389 -0.91 . . . . 2.63 112.38 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.87 -36.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.622 2.215 . . . . 4.13 112.553 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -55.38 148.91 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.164 -0.471 . . . . 3.0 111.267 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.9 15.84 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 5.04 110.638 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.97 78.48 1.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 1.92 112.582 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 t -58.58 149.6 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 1.68 111.03 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -112.41 116.98 31.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.273 -0.421 . . . . 3.43 110.853 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 123' ' ' TRP . 24.9 ptt180 -102.41 135.28 44.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 3.79 110.899 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' A' ' 79' ' ' LEU . 1.4 mm? -90.82 139.35 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 2.52 110.421 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 2.47 111.553 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 13.9 pt20 -159.35 161.76 35.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.597 -0.274 . . . . 2.41 111.065 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.47 157.46 45.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 1.57 110.968 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -124.18 168.73 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.983 -0.553 . . . . 1.29 110.832 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -110.68 151.76 27.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.343 -0.39 . . . . 3.19 111.259 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.417 ' HD1' ' HB2' ' A' ' 243' ' ' ASN . 31.7 m-70 -116.94 173.09 6.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.084 -0.507 . . . . 1.68 110.057 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -167.5 150.38 6.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 5.75 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 241' ' ' VAL . . . -117.69 -153.95 9.77 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.903 -0.665 . . . . 3.04 112.397 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -90.36 -26.28 20.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 4.29 110.996 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.98 150.79 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 5.2 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.06 8.01 11.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 5.33 110.728 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 -26.89 11.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 4.18 111.857 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -153.42 155.66 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 4.67 111.101 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.42 70.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 1.95 112.463 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.4 p -167.91 165.86 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 2.04 110.996 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 39.1 mt-10 -83.11 -76.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.64 110.702 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -81.87 162.82 22.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 2.11 110.586 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 32' ' ' ASP . 26.4 p -145.42 88.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 1.88 111.185 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.563 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.7 m -77.75 159.29 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 2.24 111.36 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.61 23.79 6.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 2.18 110.856 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 59.74 10.81 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 3.37 111.371 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -93.24 154.47 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 3.86 111.001 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -106.33 154.77 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 2.57 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -130.41 134.92 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.18 110.528 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.02 -44.43 11.58 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.97 0.414 . . . . 1.72 110.977 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -122.35 162.12 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 1.55 110.214 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -152.8 139.89 19.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.017 0.436 . . . . 2.4 112.096 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.713 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 53.5 mt -86.84 148.03 25.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 2.07 110.349 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.98 95.72 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.314 . . . . 1.71 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 143' ' ' LEU . 63.6 tp -98.49 139.56 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 2.51 110.38 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.56 136.26 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 1.83 111.541 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -131.97 134.11 45.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 2.43 110.531 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 2.7 m0 -130.57 120.72 24.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 3.95 110.355 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -55.42 142.91 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 2.19 111.082 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.0 t -82.09 -14.28 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.77 111.186 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -48.56 -36.28 15.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.979 -0.555 . . . . 3.65 111.841 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.433 ' C ' ' H ' ' A' ' 129' ' ' ASP . 9.9 p90 -100.03 -30.3 12.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.834 -0.346 . . . . 4.38 111.633 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.34 -22.55 0.63 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.82 -0.705 . . . . 2.22 113.336 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 127' ' ' TYR . 6.8 p-10 -141.88 147.92 37.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.994 0.397 . . . . 3.07 111.226 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.13 -21.1 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.853 -0.612 . . . . 3.08 110.866 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -39.84 98.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 2.36 112.278 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -89.86 -18.27 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 3.63 111.022 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.42 66.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 1.73 111.066 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.0 -12.45 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 2.3 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -72.32 2.2 6.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.332 . . . . 3.84 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -152.91 145.47 17.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 3.22 110.798 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.66 -16.25 42.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.694 2.263 . . . . 2.44 112.213 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.11 21.06 18.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 2.64 111.058 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.16 -80.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 1.49 112.812 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.23 135.87 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 1.76 111.018 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -114.58 165.2 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.619 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.39 130.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 1.3 111.552 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 120' ' ' LEU . 49.5 tp -86.02 143.89 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 2.1 110.682 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.07 109.78 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 1.4 112.309 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 63.1 mt -104.91 141.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 1.53 110.848 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.74 152.08 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 4.48 111.148 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' A' ' 118' ' ' LEU . 81.4 mt -129.47 134.04 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 3.25 110.667 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -114.92 134.54 55.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 4.32 110.957 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.6 148.59 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 3.13 111.047 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 106.58 51.29 0.81 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.745 -0.741 . . . . 3.15 112.735 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.1 m -129.5 131.58 46.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.657 0.265 . . . . 3.85 110.637 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.65 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.372 . . . . 3.82 111.156 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 157' ' ' GLN . 4.7 ttpm? -55.64 118.51 19.87 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 5.19 111.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.01 -21.75 9.18 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.3 2.0 . . . . 3.09 112.347 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.19 56.57 0.01 OUTLIER Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.852 -0.69 . . . . 2.71 112.596 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.478 ' HB3' HE21 ' A' ' 221' ' ' GLN . 4.5 mm? -116.28 19.31 14.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.743 0.306 . . . . 3.94 110.861 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 153' ' ' LYS . 62.3 tt0 -59.84 -21.41 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 3.55 110.961 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -56.77 -25.77 56.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 4.82 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.21 -31.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 3.12 110.809 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.96 -30.9 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 3.14 110.904 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 -38.89 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 3.01 110.629 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.9 t -69.2 -24.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.965 -0.562 . . . . 2.46 111.082 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -32.34 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 2.31 111.0 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.92 -12.63 11.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 2.42 110.869 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 49.4 m -85.37 -26.15 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 1.85 111.093 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.19 51.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.227 0.537 . . . . 2.44 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.3 -47.14 65.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 3.75 110.416 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 31.4 p -118.51 136.74 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 2.36 111.145 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -74.46 147.36 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.667 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 61' ' ' ASN . . . 111.74 -18.69 24.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.891 -0.671 . . . . 2.2 112.776 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -97.02 154.45 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 3.33 110.845 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.7 p -98.24 161.63 13.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 2.27 111.215 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.52 118.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 1.89 110.746 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -82.54 143.07 31.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.384 . . . . 3.74 111.507 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.416 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 84.8 t80 -156.52 105.04 2.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 4.47 110.481 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.9 t -118.7 -174.74 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 4.59 111.146 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 65.34 56.85 0.95 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 6.35 110.856 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' PHE . . . . . 0.549 ' H ' HG23 ' A' ' 55' ' ' THR . 64.3 t80 -99.38 136.01 39.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 4.67 110.659 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.4 92.39 11.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 3.92 111.108 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.44 -13.25 15.12 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.714 2.276 . . . . 4.59 112.646 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 70.5 ttt180 -63.16 -18.75 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 8.64 110.578 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.02 69.06 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.757 -0.735 . . . . 3.43 112.455 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.52 18.98 12.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.599 0.238 . . . . 5.71 111.162 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' A' ' 185' ' ' PRO . 52.5 tp -51.96 116.53 8.35 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.332 -0.395 . . . . 4.53 110.95 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.7 Cg_endo -77.79 165.22 26.97 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.479 2.119 . . . . 3.71 112.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.66 -23.31 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.918 -0.583 . . . . 6.38 110.883 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.7 m 55.09 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 5.07 111.182 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 20.0 tp -144.09 -79.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 4.32 110.489 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 20.0 m-20 -79.0 172.82 13.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 3.78 110.657 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -147.05 179.1 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 3.36 110.756 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.673 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 t-105 -148.14 131.11 16.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 4.16 109.939 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 9.3 t -133.9 165.89 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 1.5 111.875 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -159.4 73.56 3.34 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.971 -0.559 . . . . 2.91 110.602 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.564 ' HA ' HG23 ' A' ' 207' ' ' THR . 57.7 Cg_endo -72.34 129.32 14.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.484 2.122 . . . . 1.48 112.411 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -138.19 -145.56 4.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.786 -0.721 . . . . 1.64 112.497 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 21.5 m -114.04 179.32 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.642 0.258 . . . . 2.75 110.65 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 205' ' ' CYS . 88.7 mt -59.67 176.57 0.27 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 5.98 110.906 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' THR . . . . . 0.464 HG23 HG23 ' A' ' 199' ' ' THR . 5.3 t -58.69 -30.23 67.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.188 0.518 . . . . 5.3 110.097 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.568 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 36.8 p -90.29 165.95 21.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 4.96 110.082 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 65.7 Cg_exo -39.23 155.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.476 2.117 . . . . 5.64 112.663 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -34.24 104.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.279 2.653 . . . . 6.0 113.383 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 197' ' ' LEU . 44.7 tp -132.46 -41.94 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.918 -0.583 . . . . 5.41 111.154 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 205' ' ' CYS . 20.4 tp -170.89 156.95 5.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.43 -0.35 . . . . 5.02 110.694 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.92 27.09 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 3.98 110.711 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' CYS . . . . . 0.538 ' HB3' HD21 ' A' ' 197' ' ' LEU . 46.3 t -49.8 -34.95 21.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 2.48 111.001 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.6 123.31 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 1.8 110.693 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 194' ' ' PRO . 23.7 m -113.17 142.33 45.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 1.27 111.458 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -98.92 108.4 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 2.43 110.204 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.3 mp -104.63 151.81 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 1.45 110.817 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.36 125.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 2.12 110.906 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.86 162.23 4.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 3.85 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.514 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 14.8 ptmm? -57.68 -44.79 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.304 . . . . 5.85 110.908 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 10.7 pt-20 -139.65 130.72 14.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 5.91 110.876 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -84.67 157.0 12.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.622 2.214 . . . . 3.58 112.404 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.6 mm -80.38 142.49 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 4.42 110.652 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -98.36 138.7 35.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 3.53 111.595 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 14.2 t -116.43 154.28 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.835 -0.62 . . . . 2.45 110.319 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 84.8 p -109.84 149.89 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 3.39 110.915 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.8 t -59.71 -15.57 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 2.82 110.807 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.14 -35.66 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 4.51 110.215 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' GLN . . . . . 0.478 HE21 ' HB3' ' A' ' 156' ' ' LEU . 93.4 mt-30 -68.96 -24.58 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.92 110.598 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 226' ' ' ARG . 27.7 m -112.64 10.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 2.44 111.172 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.16 -42.24 80.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 2.8 110.743 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.411 ' HD2' ' HE2' ' A' ' 227' ' ' LYS . 31.2 mmmt -84.29 -14.38 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 3.78 111.054 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' PHE . . . . . 0.432 ' HA ' HD13 ' A' ' 228' ' ' LEU . 33.0 t80 -74.93 -32.04 61.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 3.33 111.023 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 77.1 mtm180 -62.25 -25.17 67.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 4.82 111.027 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.411 ' HE2' ' HD2' ' A' ' 224' ' ' LYS . 66.7 mttm -70.49 -10.04 58.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 3.25 110.89 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 225' ' ' PHE . 8.0 mp -95.08 162.25 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 2.93 110.995 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.1 170.14 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 2.92 110.524 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -49.86 -47.07 51.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.866 0.365 . . . . 5.3 110.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' A' ' 64' ' ' HIS . 15.5 m120 -112.88 162.74 15.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.558 . . . . 4.3 110.655 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -75.15 -167.19 20.18 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.813 -0.708 . . . . 4.09 112.674 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.88 157.38 37.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 7.57 111.09 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 100.29 1.54 55.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.852 -0.689 . . . . 6.31 112.431 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.45 156.29 69.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.479 0.181 . . . . 5.7 110.706 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.78 160.79 3.62 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.559 2.172 . . . . 6.54 112.347 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.0 109.15 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 6.78 111.039 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -102.95 149.72 24.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 5.03 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.77 116.19 16.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 5.11 110.634 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -20.41 56.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 5.21 110.7 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.408 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 11.5 p -83.27 145.57 8.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 3.44 110.737 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.6 t70 179.52 -36.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.451 -0.341 . . . . 3.67 111.097 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.417 ' HB2' ' HD1' ' A' ' 96' ' ' HIS . 14.2 t-20 -85.17 26.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 3.74 111.29 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -97.36 132.92 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 3.25 110.369 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.547 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 4.1 mmp_? -141.22 155.74 67.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 3.78 111.323 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.56 172.96 14.94 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 2.43 112.007 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -135.15 31.83 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 3.18 111.061 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.96 122.56 72.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 5.35 110.8 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.07 128.85 10.14 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.433 2.089 . . . . 4.02 112.382 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.748 HD23 ' H ' ' A' ' 250' ' ' LEU . 2.0 pt? -76.45 -35.68 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 3.94 110.648 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -160.06 -64.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 6.83 110.503 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -172.31 -66.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 5.02 110.664 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' ARG . . . . . 0.449 ' NH2' ' H ' ' A' ' 26' ' ' GLU . 20.8 mmm180 61.31 146.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.118 -0.492 . . . . 5.82 111.578 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.46 145.88 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 3.22 110.613 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 14.4 tt -116.1 143.81 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 2.02 111.589 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 256' ' ' LYS . 3.5 mptp? -109.6 120.41 42.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.514 . . . . 2.91 110.587 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -138.37 162.98 33.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 1.46 110.86 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 42.5 t -70.47 -23.12 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.32 110.201 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 68.1 t80 -111.83 146.3 37.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.711 -0.677 . . . . 3.3 110.801 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.139 -0.934 . . . . 4.59 111.123 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.377 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.799 0.333 . . . . 32.91 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -117.39 150.08 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 30.03 110.888 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -115.78 130.59 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 29.61 111.036 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.31 139.67 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 26.81 110.734 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -140.21 125.23 18.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 25.62 110.686 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.1 -18.73 46.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 23.39 112.344 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.5 178.45 4.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.697 0.284 . . . . 23.38 110.61 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.42 -4.83 1.79 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.62 -0.8 . . . . 19.99 112.609 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -74.92 -39.79 61.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 19.34 110.749 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -92.66 -27.69 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 18.14 110.704 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.89 4.69 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 18.74 110.778 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.08 -72.26 1.28 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.772 -0.728 . . . . 16.42 112.427 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.45 142.29 71.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.43 2.087 . . . . 15.7 112.054 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.06 97.3 4.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 15.32 110.982 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 54.55 89.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 15.63 111.372 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -72.03 -14.65 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 11.72 110.609 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -85.14 -36.42 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 12.77 110.721 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -85.48 -3.63 58.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 15.94 110.843 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.6 -63.88 1.27 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 12.96 111.081 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -82.3 143.43 48.42 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.348 -0.387 . . . . 10.55 111.046 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.44 20.86 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.687 2.258 . . . . 9.69 112.704 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.77 -49.82 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 8.17 110.369 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.22 -27.78 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.557 . . . . 9.4 110.323 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -77.13 -15.33 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 13.28 110.489 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.0 -140.53 3.79 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.81 -0.709 . . . . 8.88 112.565 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 63.35 19.4 11.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.876 0.369 . . . . 8.92 110.946 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -96.36 -5.99 38.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 9.6 110.22 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.74 145.31 49.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 6.33 111.081 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.31 153.53 23.69 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 3.57 110.82 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 128.67 31.31 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.515 2.143 . . . . 2.88 112.251 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -144.24 176.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 2.26 110.796 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 61.3 m-20 -85.55 98.6 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 2.44 110.787 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.9 mp -83.74 139.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 1.53 110.73 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.3 m-20 -113.13 129.09 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 1.51 110.888 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.8 p -72.9 -8.33 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 1.95 110.704 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -88.67 -39.46 14.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.851 -0.613 . . . . 3.43 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.537 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.1 t -76.28 -20.75 57.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.73 111.005 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.04 157.65 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 1.29 110.947 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -119.25 146.02 45.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.451 -0.34 . . . . 3.53 111.028 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 260' ' ' LYS . 38.1 p90 -76.88 132.96 39.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 4.17 110.94 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -130.29 92.45 35.75 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 3.04 111.369 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.69 12.65 2.12 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.506 2.137 . . . . 2.3 112.405 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 m -74.93 -7.57 53.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 3.07 110.959 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 258' ' ' SER . 4.6 mp -105.18 113.04 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.542 . . . . 3.08 110.662 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 37.5 mtmm -78.67 158.5 75.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 4.28 110.874 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 12.1 Cg_endo -55.4 140.36 82.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.494 2.13 . . . . 2.41 112.149 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.6 pt? -99.38 160.45 14.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 5.24 111.404 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -127.85 109.74 11.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.788 -0.642 . . . . 2.67 110.601 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 m -107.85 148.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 2.44 111.589 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -113.23 137.91 50.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.227 -0.442 . . . . 2.58 110.731 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -171.54 37.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 4.87 111.143 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.02 -19.97 46.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 4.17 110.027 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -117.07 1.82 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.675 . . . . 4.62 110.836 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -52.38 124.61 13.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.458 -0.337 . . . . 1.97 110.97 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 178' ' ' PHE . 51.7 m -152.81 144.28 23.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 1.9 111.739 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -92.46 150.02 21.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.835 -0.62 . . . . 1.87 110.346 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.65 -38.39 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 3.58 111.479 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -161.31 157.93 26.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 4.62 111.326 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.8 mt -121.21 119.3 58.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 1.72 110.744 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -108.79 153.97 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 2.58 110.519 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HG3' ' A' ' 169' ' ' LYS . 0.9 OUTLIER -95.06 153.22 17.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 1.94 111.156 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -106.69 23.18 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 3.13 111.314 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.93 11.11 84.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.472 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -179.54 -49.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 4.34 110.926 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.71 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 2.12 110.876 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' HE1' HD13 ' A' ' 228' ' ' LEU . 24.8 m-85 -120.2 133.74 55.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 3.39 110.737 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -133.32 146.84 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.689 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.91 133.04 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 1.95 111.013 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 40.3 tt0 -105.11 142.0 35.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.964 0.411 . . . . 3.84 111.327 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -117.57 147.47 42.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.796 -0.638 . . . . 4.12 110.629 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.98 101.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 3.04 110.514 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.16 0.27 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 3.88 111.126 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.1 t -58.05 -29.15 65.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 3.2 110.695 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -129.08 177.12 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.06 110.566 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.96 78.12 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 2.84 110.589 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 54' ' ' ALA . 41.3 tttt -88.23 -61.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 3.26 111.032 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -149.07 118.39 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.242 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -127.07 161.57 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.72 111.233 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 90' ' ' LEU . 1.4 mm? -119.4 120.92 38.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 2.3 110.874 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -145.54 164.57 31.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 2.67 110.936 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.68 -167.54 13.46 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.866 -0.683 . . . . 2.5 112.478 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.75 -159.84 36.76 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.775 -0.726 . . . . 2.63 112.64 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -42.06 2.05 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.534 2.156 . . . . 4.13 112.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 84' ' ' LEU . 2.6 pt? -80.73 156.42 26.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 3.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.63 10.74 39.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 5.04 111.148 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.07 126.22 7.98 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.762 -0.732 . . . . 1.92 112.527 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 t -94.02 133.53 37.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 1.68 111.253 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 83.2 m-85 -113.17 140.21 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 3.43 110.686 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -101.53 140.25 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 3.79 110.797 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 79' ' ' LEU . 4.0 pp -82.94 142.11 31.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.464 -0.335 . . . . 2.52 110.675 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.719 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.4 mp -116.38 -73.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.486 -0.325 . . . . 2.47 111.36 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.719 ' HG3' HG22 ' A' ' 91' ' ' ILE . 42.9 mt-30 -150.69 157.57 43.12 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.647 0.26 . . . . 2.41 111.013 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 27.8 p90 -138.76 148.84 44.35 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.993 0.425 . . . . 1.57 110.894 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.3 p-80 -128.08 168.19 15.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.29 110.761 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -111.29 158.25 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 3.19 111.185 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -116.7 168.96 9.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 1.68 110.735 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.485 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 62.3 t-105 -172.14 92.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 5.75 110.24 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.9 161.74 0.93 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.994 -0.622 . . . . 3.04 112.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.513 ' HB3' ' H ' ' A' ' 242' ' ' ASP . 89.1 p -72.64 -18.25 61.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 4.29 110.933 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.94 146.21 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.615 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.97 26.87 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 5.33 110.708 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.93 -44.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 4.18 112.601 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -158.81 169.8 23.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.885 0.374 . . . . 4.67 111.108 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.07 89.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.918 -0.658 . . . . 1.95 112.535 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -158.08 172.84 17.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.674 0.273 . . . . 2.04 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 245' ' ' ARG . 43.5 mt-10 -75.96 -86.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.49 -0.323 . . . . 2.64 111.391 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -70.85 169.55 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 2.11 111.213 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 43.5 m -143.78 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 1.88 110.892 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.03 153.61 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 2.24 111.305 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.8 t70 55.63 27.85 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.793 -0.64 . . . . 2.18 110.843 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm 57.83 16.22 3.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 3.37 111.369 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -118.64 127.13 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 3.86 110.541 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -94.38 155.65 16.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 2.57 110.819 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.86 153.0 23.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 2.18 110.869 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.78 23.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.355 -0.384 . . . . 1.72 111.417 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.88 152.87 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.55 110.561 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 10.6 pt-20 -152.55 137.37 17.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 2.4 111.841 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.1 mt -86.76 147.85 25.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 2.07 110.354 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -127.58 97.04 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 1.71 111.491 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 70.1 tp -93.46 123.82 37.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.404 . . . . 2.51 110.597 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.23 146.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.815 0.341 . . . . 1.83 111.389 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 69.4 m-70 -129.71 163.19 26.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 2.43 110.861 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -171.44 120.58 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 3.95 110.771 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -57.1 123.25 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 2.19 111.033 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -84.9 -15.18 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.77 111.555 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -56.38 -27.26 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 3.65 110.91 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -78.13 -28.73 48.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 4.38 110.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.11 -46.76 3.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 2.22 112.737 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.09 157.54 46.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 3.07 110.904 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 48.7 p90 -63.88 -19.61 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 3.08 111.135 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.24 -49.11 78.96 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.655 -0.784 . . . . 2.36 112.622 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -21.3 23.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 3.63 110.78 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -67.24 -41.19 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.73 111.223 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 130' ' ' PHE . 24.3 m -65.16 -9.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 2.3 111.588 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 3.84 110.747 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.632 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 29.6 tt0 -79.12 135.64 58.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 3.22 110.39 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 53.1 Cg_exo -54.8 -18.06 15.21 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.625 2.217 . . . . 2.44 112.801 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.632 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 32.3 t70 -117.61 -12.76 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.574 -0.285 . . . . 2.64 111.314 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.33 -102.69 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.944 -0.646 . . . . 1.49 112.737 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -102.58 166.99 10.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.65 0.262 . . . . 1.76 110.578 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -116.24 149.75 38.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.98 111.121 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 206' ' ' VAL . 46.6 t -122.34 111.6 31.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 1.3 111.356 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 212' ' ' LYS . 52.5 tp -88.94 108.8 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 2.1 110.686 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -88.53 110.38 3.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 1.4 112.598 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 68.1 mt -100.16 139.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.983 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -117.37 135.05 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 4.48 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 90.8 mt -101.94 140.32 36.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 3.25 111.14 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -118.92 134.99 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 4.32 110.731 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.88 147.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 3.13 110.85 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.35 141.65 12.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.813 -0.708 . . . . 3.15 112.345 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.3 t 61.25 72.44 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 3.85 110.405 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . -62.72 -169.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 3.82 111.712 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.579 ' HD3' ' HB2' ' A' ' 156' ' ' LEU . 16.7 ptpt -59.3 153.61 46.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.762 -0.654 . . . . 5.19 111.277 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.76 -12.22 35.07 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.682 2.255 . . . . 3.09 112.159 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 137.48 62.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 2.71 112.693 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.579 ' HB2' ' HD3' ' A' ' 153' ' ' LYS . 64.5 mt -121.25 27.53 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 3.94 110.626 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.64 -21.54 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.878 -0.601 . . . . 3.55 111.566 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -56.74 -32.27 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 4.82 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 41.4 t -73.06 -29.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 3.12 111.05 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 225' ' ' PHE . 58.6 t -64.67 -20.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 3.14 111.072 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.95 -19.94 31.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 3.01 110.984 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.27 -57.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 2.46 111.414 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 2.31 110.955 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.482 ' HA ' ' HD3' ' A' ' 167' ' ' LYS . 17.4 t70 -49.6 -19.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.807 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.4 t -88.24 -43.56 11.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.85 110.735 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.0 pt -93.81 50.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 2.44 111.361 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 164' ' ' ASP . 32.6 mmmt -59.54 -48.85 80.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 3.75 110.993 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 75.3 p -70.37 143.79 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 2.36 111.002 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.63 148.18 30.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 3.46 110.98 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.79 -26.5 10.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.014 -0.612 . . . . 2.2 112.365 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -104.46 176.48 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 3.33 110.808 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.5 p -149.51 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.943 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -125.65 135.03 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.568 . . . . 1.89 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.85 117.51 29.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.457 -0.338 . . . . 3.74 111.018 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.17 111.9 10.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 4.47 110.649 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.6 t -109.22 177.74 4.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 4.59 110.939 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 60.11 57.2 3.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 6.35 110.959 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' PHE . . . . . 0.608 ' H ' HG23 ' A' ' 55' ' ' THR . 53.6 t80 -88.6 136.16 33.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.572 . . . . 4.67 110.556 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ASP . . . . . 0.602 ' HB3' ' HG2' ' A' ' 181' ' ' ARG . 12.3 m-20 -68.59 111.13 7.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.351 -0.386 . . . . 3.92 111.032 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.7 -10.29 28.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.575 2.183 . . . . 4.59 112.262 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ARG . . . . . 0.602 ' HG2' ' HB3' ' A' ' 179' ' ' ASP . 15.6 ptp180 -70.31 -28.31 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 8.64 110.632 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -68.02 -9.44 56.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 3.43 112.277 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.24 -13.89 19.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 5.71 110.745 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 181' ' ' ARG . 90.4 mt -56.1 125.98 65.68 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 4.53 110.906 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.97 140.01 19.87 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.469 2.113 . . . . 3.71 112.458 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.74 -22.17 56.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 6.38 110.804 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 79.9 p -157.06 150.53 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 5.07 110.834 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.03 126.35 52.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.299 -0.409 . . . . 4.32 110.689 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.598 ' HB3' HD23 ' A' ' 211' ' ' LEU . 8.4 m-20 -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 3.78 110.871 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 258' ' ' SER . 63.1 m-85 -142.58 143.14 32.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.375 . . . . 3.36 110.619 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.63 ' HB2' HD22 ' A' ' 211' ' ' LEU . 10.0 t-105 -172.25 120.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 4.16 110.598 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 5.7 t -119.35 147.92 43.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 1.5 110.802 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -167.45 86.72 0.77 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.14 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 207' ' ' THR . 52.8 Cg_endo -69.6 128.35 16.04 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.32 2.014 . . . . 1.48 112.004 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.73 -160.98 10.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.496 -0.859 . . . . 1.64 112.858 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 40.1 m -152.75 -177.5 6.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 2.75 110.516 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 197' ' ' LEU . 7.6 mp -82.95 173.92 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.593 -0.276 . . . . 5.98 110.853 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 86.7 m -68.7 -32.33 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.973 0.416 . . . . 5.3 110.632 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 200' ' ' PRO . 6.2 t -124.02 138.62 30.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 4.96 110.905 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 199' ' ' THR . 25.1 Cg_exo -63.42 123.68 12.5 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.288 1.992 . . . . 5.64 111.95 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.14 -52.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.509 2.139 . . . . 6.0 112.507 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 203' ' ' LEU . 2.6 pt? -172.16 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 5.41 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' H ' ' A' ' 204' ' ' GLU . 0.2 OUTLIER -151.74 145.54 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 5.02 110.779 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.607 ' H ' HD13 ' A' ' 203' ' ' LEU . 34.0 tt0 -77.91 84.71 4.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 3.98 110.773 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.62 24.14 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.53 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 142' ' ' VAL . 8.2 t -116.43 113.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.8 111.194 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 194' ' ' PRO . 32.7 m -113.19 149.08 34.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.27 111.036 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -106.18 114.77 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 2.43 111.063 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.5 HG21 ' HE2' ' A' ' 212' ' ' LYS . 3.5 mp -126.3 136.7 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 1.45 110.384 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 211' ' ' LEU . 2.4 t -136.32 168.44 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 2.12 111.36 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 191' ' ' TRP . 11.0 mp 67.68 9.52 7.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.911 -0.586 . . . . 3.85 111.346 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 143' ' ' LEU . 24.0 ttmm -82.5 -43.5 17.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 5.85 110.532 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 77.38 4.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 5.91 110.37 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 159.5 27.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.888 2.392 . . . . 3.58 112.426 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 48.7 mm -124.9 137.62 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 4.42 110.868 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 25.4 t -100.93 114.4 28.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 3.53 111.296 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.49 141.22 18.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.164 -0.471 . . . . 2.45 110.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 152' ' ' ALA . 40.7 t -106.06 148.24 28.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.865 0.364 . . . . 3.39 110.992 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 222' ' ' VAL . 90.7 p -80.22 -18.4 49.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 2.82 111.243 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.69 -25.83 37.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 4.51 110.669 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -88.04 -24.8 23.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 3.92 111.297 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 30.1 m -102.14 24.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.381 . . . . 2.44 111.195 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.43 -37.17 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 2.8 110.722 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.91 -14.81 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 3.78 110.771 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' PHE . . . . . 0.595 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 87.5 t80 -80.05 -35.47 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 3.33 111.02 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 222' ' ' VAL . 36.0 mmt180 -73.92 -0.07 14.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 4.82 111.347 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 227' ' ' LYS . 9.6 mtpm? -72.76 -7.96 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.434 -0.348 . . . . 3.25 111.384 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 240' ' ' MET . 3.7 pp -54.12 162.23 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 2.93 111.363 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.13 166.87 21.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.039 -0.528 . . . . 2.92 111.402 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.429 ' H ' ' HD1' ' A' ' 230' ' ' PHE . 4.7 p90 -100.41 -0.95 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.964 -0.562 . . . . 5.3 110.953 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -177.45 171.83 1.9 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.295 -0.411 . . . . 4.3 110.681 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 232' ' ' GLY . . . . . 0.493 ' N ' ' HB2' ' A' ' 169' ' ' LYS . . . -52.96 163.35 2.16 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.123 -0.56 . . . . 4.09 113.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.07 157.86 4.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.99 0.424 . . . . 7.57 111.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 104.31 -3.82 43.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.975 -0.631 . . . . 6.31 112.254 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -114.82 152.26 46.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.473 0.177 . . . . 5.7 110.613 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.06 134.03 50.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.435 2.09 . . . . 6.54 111.77 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 237' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 237' ' ' GLU . 0.3 OUTLIER -48.19 117.38 1.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 6.78 111.295 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -157.26 136.2 11.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 5.03 110.685 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.53 142.51 44.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 5.11 111.032 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 240' ' ' MET . 0.0 OUTLIER -53.87 130.95 38.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 5.21 110.768 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 22.8 m -144.38 -175.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 3.44 111.46 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 99' ' ' SER . 46.3 m-20 68.44 41.7 1.73 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 3.67 110.97 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.485 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 30.9 m-20 -118.44 29.71 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.58 . . . . 3.74 110.702 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 244' ' ' TRP . . . . . 0.433 ' HD1' ' H ' ' A' ' 99' ' ' SER . 64.8 p-90 -103.5 159.79 15.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 3.25 110.895 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 18.5 tpt180 -141.03 141.63 24.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 3.78 110.92 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.426 ' HD2' ' HG3' ' A' ' 245' ' ' ARG . 46.6 Cg_exo -56.69 172.4 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.263 1.975 . . . . 2.43 112.116 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.07 45.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 3.18 111.13 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -55.19 135.41 68.53 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 5.35 110.838 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.99 124.52 9.67 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.418 2.079 . . . . 4.02 112.558 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 64.9 tp -79.94 -31.89 40.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 3.94 110.856 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 66.07 13.44 9.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.695 -0.684 . . . . 6.83 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -147.7 171.45 15.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.327 -0.397 . . . . 5.02 111.214 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 66.78 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.789 -0.641 . . . . 5.82 111.491 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -106.36 166.05 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 3.22 110.619 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.8 mp -106.94 144.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.34 -0.391 . . . . 2.02 110.645 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -116.18 91.73 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 2.91 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.94 169.78 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 1.46 111.072 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.523 ' HB2' HD22 ' A' ' 44' ' ' LEU . 41.9 t -77.2 -15.43 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 2.32 110.483 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -111.69 147.67 35.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.629 . . . . 3.3 110.599 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 260' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 40' ' ' TYR . 68.6 mttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.252 -0.88 . . . . 4.59 111.255 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.424 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.5 mmm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.736 0.303 . . . . 32.91 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -95.67 -12.0 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 30.03 110.904 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -112.17 143.51 43.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 29.61 110.774 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -119.87 26.27 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 26.81 110.978 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -137.94 141.73 40.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 25.62 110.928 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.98 43.45 26.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.778 -0.725 . . . . 23.39 112.456 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -117.18 14.81 14.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 23.38 110.964 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.08 77.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 19.99 112.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -80.62 -45.95 16.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 19.34 110.765 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.35 -20.93 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 18.14 110.736 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -111.46 11.32 21.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 18.74 110.788 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.78 -166.25 38.72 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.818 -0.706 . . . . 16.42 112.63 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.71 147.67 63.69 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.709 2.273 . . . . 15.7 112.388 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.03 126.4 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 15.32 110.91 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 15.63 110.703 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -76.06 -20.92 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 11.72 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 24' ' ' LYS . 53.3 p-80 -85.25 -0.33 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 12.77 110.821 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -86.45 -11.32 52.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.535 . . . . 15.94 110.595 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -87.25 -52.8 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 12.96 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.5 147.11 64.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 10.55 110.853 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' A' ' 24' ' ' LYS . 72.8 Cg_endo -76.02 14.84 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.505 2.137 . . . . 9.69 112.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 204' ' ' GLU . 78.9 mt -81.41 -28.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 8.17 110.848 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 17' ' ' HIS . . . -87.84 -43.17 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 9.4 110.739 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' HIS . 14.7 ptmm? -84.03 5.35 26.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 13.28 110.847 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.37 161.5 53.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 8.88 112.533 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.15 37.73 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.781 0.324 . . . . 8.92 111.241 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 HH22 ' NZ ' ' A' ' 256' ' ' LYS . 87.8 mtt180 -135.44 25.33 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 9.6 110.466 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -106.84 27.92 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 6.33 110.966 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -134.68 148.91 69.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.383 -0.371 . . . . 3.57 111.115 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.84 125.28 5.98 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.651 2.234 . . . . 2.88 112.228 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.7 p -137.04 176.5 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.254 -0.43 . . . . 2.26 110.604 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.635 ' H ' HG22 ' A' ' 31' ' ' VAL . 35.4 m-20 -89.52 98.61 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 2.44 110.662 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -82.7 140.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.53 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.5 m-20 -108.73 129.42 55.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 1.51 110.662 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -67.3 -10.06 47.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.95 110.634 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -90.43 -40.85 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.65 . . . . 3.43 110.969 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.9 t -74.06 -21.79 59.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 1.73 110.969 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.08 129.82 43.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 1.29 110.897 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.21 151.54 23.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 3.53 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 260' ' ' LYS . 38.4 p90 -90.49 131.79 36.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 4.17 110.785 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.03 100.32 19.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 3.04 111.113 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.79 21.88 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.45 2.1 . . . . 2.3 112.749 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -68.49 -45.51 72.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.458 -0.337 . . . . 3.07 110.732 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.9 mm? -110.17 96.4 6.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 3.08 110.617 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -108.48 149.72 39.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 4.28 111.212 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.88 126.49 18.99 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.332 2.022 . . . . 2.41 111.665 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.9 tp -139.79 -62.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 5.24 111.576 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -129.9 120.31 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 2.67 111.37 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.72 135.82 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 2.44 110.778 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.513 ' HB2' HG12 ' A' ' 78' ' ' VAL . 51.1 m -113.41 144.11 43.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 2.58 110.952 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -175.04 34.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.991 -0.549 . . . . 4.87 110.919 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -89.76 -25.41 21.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 4.17 110.21 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -101.08 -3.91 28.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 4.62 110.679 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -50.53 120.22 4.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.345 -0.389 . . . . 1.97 110.741 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.0 m -159.85 144.05 14.67 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.345 . . . . 1.9 111.538 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -87.14 163.6 16.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 1.87 110.412 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -123.23 -39.33 2.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.608 -0.269 . . . . 3.58 111.681 -179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 60' ' ' LEU . 40.9 ttp180 -173.37 152.2 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.871 0.367 . . . . 4.62 111.385 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.442 HG12 HG12 ' A' ' 68' ' ' VAL . 35.9 mt -112.72 104.43 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 1.72 110.631 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 58' ' ' ARG . 2.9 mm? -99.87 153.31 19.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 2.58 111.153 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.99 161.44 20.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 1.94 110.522 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -106.55 23.68 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.683 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 14.34 73.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.31 -0.948 . . . . 2.64 112.002 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.07 -55.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.711 0.291 . . . . 4.34 110.776 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.89 163.48 16.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.245 -0.434 . . . . 2.12 110.804 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -120.34 133.47 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 3.39 111.193 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -133.67 153.26 51.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.103 -0.499 . . . . 2.57 110.652 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 59' ' ' ILE . 3.6 m -115.58 108.65 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.95 111.442 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.94 145.31 27.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 3.84 111.166 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.36 172.15 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 4.12 110.882 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.03 107.77 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 3.04 111.056 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -107.3 3.43 25.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 3.88 110.648 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 -44.28 83.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.039 -0.528 . . . . 3.2 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -127.42 -166.16 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 4.06 110.88 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -58.49 138.92 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 2.84 110.867 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 7.1 ttpm? -142.58 -76.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 3.26 111.13 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -156.54 122.39 4.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 1.42 111.332 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 50' ' ' SER . 11.5 p -117.42 152.05 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 1.72 110.855 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -133.89 132.61 40.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 2.3 111.361 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HB3' HG22 ' A' ' 87' ' ' THR . 14.8 ptmm? -159.38 150.6 19.94 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.312 -0.404 . . . . 2.67 110.559 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.63 156.35 26.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.582 -0.818 . . . . 2.5 112.754 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.9 -158.28 6.53 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.748 -0.739 . . . . 2.63 112.628 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.12 2.1 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.481 2.12 . . . . 4.13 112.16 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 112.82 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 3.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.42 -15.37 37.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 5.04 110.778 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.91 83.67 1.52 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.902 -0.666 . . . . 1.92 112.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 80' ' ' LYS . 40.1 p -68.25 156.07 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.68 111.404 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.98 128.62 46.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 3.43 110.722 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -103.32 153.88 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 3.79 111.157 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.8 mp -90.0 122.72 33.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.289 -0.414 . . . . 2.52 110.342 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -98.86 -70.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.549 -0.296 . . . . 2.47 111.411 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.17 169.67 23.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.599 -0.273 . . . . 2.41 111.012 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 37.7 p90 -158.14 162.3 37.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 1.57 111.268 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.544 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.9 p-80 -135.86 163.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 1.29 110.48 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -111.41 145.6 38.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.866 0.365 . . . . 3.19 111.574 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -104.07 160.73 14.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.051 -0.522 . . . . 1.68 110.204 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.427 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 97.2 m95 -144.15 89.9 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 5.75 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -52.47 164.08 1.7 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.026 -0.607 . . . . 3.04 112.677 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 44.0 t -82.83 -28.73 29.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 4.29 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.1 137.97 31.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 5.2 110.919 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.45 20.54 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 5.33 110.668 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.01 -40.4 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.824 -0.703 . . . . 4.18 112.369 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -166.43 172.05 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 4.67 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 1.95 112.451 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.6 p -152.18 147.81 26.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 2.04 110.989 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.4 124.88 24.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 2.64 110.732 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 60.92 173.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 2.11 110.885 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.1 t -164.68 120.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 1.88 111.315 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 34.5 m -102.92 159.3 4.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.411 . . . . 2.24 111.68 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 t70 56.15 30.72 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.664 . . . . 2.18 111.016 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 55.61 24.85 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 3.37 111.401 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -126.19 116.93 22.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 3.86 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -102.99 152.35 21.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 2.57 110.962 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.14 164.79 11.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.18 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.0 -14.26 58.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.089 -0.505 . . . . 1.72 111.536 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.408 ' HB3' HD21 ' A' ' 147' ' ' LEU . . . -163.81 169.47 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 1.55 111.309 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 145' ' ' ILE . 39.4 tt0 -152.69 147.8 26.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 2.4 110.79 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 148.12 23.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 2.07 110.93 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.544 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.8 m170 -107.2 108.92 20.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 1.71 111.285 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 3.0 mp -102.4 143.64 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.734 0.302 . . . . 2.51 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.0 140.71 34.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 1.83 111.496 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 15.2 m-70 -127.31 156.83 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 2.43 110.261 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.51 ' HE1' ' HB2' ' A' ' 133' ' ' ALA . 27.8 t90 -165.03 134.76 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.084 0.469 . . . . 3.95 111.153 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.401 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 60.4 t30 -78.68 128.18 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 2.19 110.76 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.1 t -73.44 -15.02 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.77 111.804 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 54.1 tptt -54.91 -25.44 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 3.65 111.201 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' A' ' 129' ' ' ASP . 95.2 m-85 -85.95 -30.03 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 4.38 111.194 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.13 -24.6 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 2.22 112.75 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.2 m-20 -142.33 163.58 32.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.882 0.372 . . . . 3.07 111.221 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -23.23 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 3.08 110.998 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.05 -27.61 72.78 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.602 -0.809 . . . . 2.36 112.367 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -90.06 -32.7 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 3.63 110.738 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HE1' ' A' ' 123' ' ' TRP . . . -62.74 -42.57 99.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.73 111.148 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.71 -13.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.923 -0.58 . . . . 2.3 111.629 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.26 -10.37 59.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 3.84 110.734 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.645 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 33.3 tt0 -135.3 130.97 19.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 3.22 110.669 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 37.4 Cg_exo -61.2 -24.09 78.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.603 2.202 . . . . 2.44 112.189 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.645 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 6.2 m-20 -100.34 10.77 40.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 2.64 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.77 -55.33 31.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 1.49 112.858 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -126.96 155.76 42.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 1.76 110.634 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.2 165.26 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 0.98 111.281 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 209' ' ' ILE . 60.0 t -125.16 108.26 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 1.3 110.753 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.545 HD23 HD22 ' A' ' 120' ' ' LEU . 61.6 tp -85.47 141.61 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 2.1 111.322 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.87 128.57 5.71 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.815 -0.629 . . . . 1.4 112.25 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 51.3 mt -130.55 140.67 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.3 . . . . 1.53 111.044 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.74 175.98 7.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 4.48 110.753 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 116' ' ' ALA . 96.0 mt -56.69 176.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 3.25 111.104 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -128.07 143.39 51.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 4.32 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.03 122.56 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 3.13 110.782 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 218' ' ' SER . . . -53.97 107.22 0.6 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.041 -0.6 . . . . 3.15 113.008 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.1 p -172.22 42.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.767 0.318 . . . . 3.85 111.21 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 217' ' ' VAL . . . -84.86 -164.87 1.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.409 -0.36 . . . . 3.82 111.073 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.69 155.97 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 5.19 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -78.24 -2.63 12.69 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.45 2.1 . . . . 3.09 111.867 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -122.73 29.05 5.52 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.878 -0.677 . . . . 2.71 112.615 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 221' ' ' GLN . 19.1 tp -72.67 6.96 2.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 3.94 110.946 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -53.69 -22.72 9.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 3.55 110.959 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 162' ' ' VAL . 45.5 mtmt -54.24 -36.33 63.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.515 . . . . 4.82 111.022 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 36.6 t -84.5 -28.56 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 3.12 111.333 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.38 -28.63 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.049 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -85.07 -27.86 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 3.01 110.876 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 158' ' ' LYS . 96.1 t -60.5 -43.83 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.221 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -30.43 71.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 2.31 111.09 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.53 -12.48 22.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 2.42 110.642 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.9 t -86.4 -30.89 21.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 1.85 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.9 mp -108.67 51.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 2.44 110.735 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -50.95 -41.96 59.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 3.75 110.625 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.7 p -128.15 148.88 50.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 2.36 111.081 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.7 OUTLIER -65.73 148.14 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 3.46 111.14 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.6 -20.89 19.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.961 -0.637 . . . . 2.2 112.435 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -93.71 175.73 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 3.33 110.807 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 79.7 p -126.59 163.07 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 2.27 111.031 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -163.0 124.55 2.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 1.89 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.508 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 7.9 m-20 -69.07 143.03 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 3.74 111.089 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.41 ' HB3' HG13 ' A' ' 59' ' ' ILE . 70.2 t80 -156.05 108.42 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 4.47 110.645 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 12.9 t -130.66 -177.37 4.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 4.59 110.95 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 57.5 t30 60.03 50.32 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 6.35 111.09 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -112.58 142.15 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 4.67 110.688 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -143.15 91.75 6.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 3.92 111.292 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.76 -48.45 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.279 1.986 . . . . 4.59 112.31 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.02 -7.32 49.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 8.64 111.093 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.55 29.93 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.786 -0.721 . . . . 3.43 112.577 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.59 -20.27 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.658 0.266 . . . . 5.71 111.004 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 90.8 mt -73.8 137.36 76.76 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.47 -0.332 . . . . 4.53 110.809 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 25.3 Cg_exo -62.58 132.78 39.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.46 2.107 . . . . 3.71 112.406 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.98 -20.32 42.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.465 . . . . 6.38 111.135 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.0 m -107.09 89.83 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 5.07 111.026 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.453 HD22 ' HZ2' ' A' ' 212' ' ' LYS . 11.3 mt -154.07 169.37 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 4.32 111.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.606 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 12.3 m-20 -76.11 167.34 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 3.78 110.594 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -142.1 175.61 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 3.36 110.886 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.555 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.2 m-90 -140.71 140.57 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 4.16 110.07 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.5 t -138.26 163.82 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.5 111.559 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -159.88 87.13 1.99 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 2.91 110.635 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.517 ' HA ' HG23 ' A' ' 207' ' ' THR . 53.5 Cg_exo -53.67 129.55 34.49 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.485 2.123 . . . . 1.48 112.422 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 162.84 -157.0 28.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.861 -0.685 . . . . 1.64 112.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 64.3 m -127.37 174.26 9.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 2.75 110.84 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.69 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 5.98 110.739 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 70.0 p -82.67 18.22 1.6 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.258 0.551 . . . . 5.3 110.191 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 1.3 t -153.27 142.14 14.42 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-N 115.395 -0.82 . . . . 4.96 110.379 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 201' ' ' PRO . 58.1 Cg_endo -72.14 122.99 8.88 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.882 1.721 . . . . 5.64 112.439 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 77.3 Cg_endo -97.81 -6.9 0.86 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.146 2.564 . . . . 6.0 112.425 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 202' ' ' LEU . 3.6 mm? 62.1 19.52 10.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.904 -0.589 . . . . 5.41 110.348 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 63.2 mt -136.41 123.69 21.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 5.02 110.73 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.403 ' HB2' HD11 ' A' ' 22' ' ' ILE . 7.5 tp10 -90.21 17.67 6.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.373 0.606 . . . . 3.98 109.837 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 79.3 m -93.08 19.45 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.378 -0.828 . . . . 2.48 110.74 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.39 115.31 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 1.8 111.512 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 194' ' ' PRO . 35.3 m -112.97 140.81 47.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 1.27 110.268 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -91.23 108.69 20.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.84 0.352 . . . . 2.43 110.979 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 142' ' ' VAL . 0.3 OUTLIER -101.62 160.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 1.45 110.539 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 43.8 t -133.41 103.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.12 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.13 162.09 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 3.85 110.594 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.453 ' HZ2' HD22 ' A' ' 188' ' ' LEU . 22.6 tptm -62.41 -55.15 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 5.85 110.995 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.16 149.99 26.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 5.91 110.87 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.73 170.17 20.94 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.632 2.221 . . . . 3.58 112.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 215' ' ' ILE . 4.5 mp -73.52 134.85 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.247 -0.433 . . . . 4.42 110.665 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 78.7 p -68.29 104.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 3.53 111.421 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.515 ' HA ' ' HB2' ' A' ' 152' ' ' ALA . 57.9 t -133.24 136.69 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 2.45 110.59 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.491 ' HB2' ' HG2' ' A' ' 221' ' ' GLN . 74.0 m -73.06 147.84 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 3.39 110.926 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.3 p -80.98 -22.49 39.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 2.82 111.583 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.94 -26.66 57.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 4.51 111.029 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 156' ' ' LEU . 24.5 mm-40 -75.93 -26.47 56.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 3.92 110.834 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 27.1 m -96.59 -3.29 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 2.44 111.224 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 223' ' ' LEU . 0.4 OUTLIER -56.23 -40.59 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 2.8 110.09 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -76.03 -23.48 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 3.78 110.376 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -69.05 -23.27 64.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 3.33 110.8 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -77.02 -10.87 59.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 4.82 111.162 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -74.53 -5.66 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 3.25 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.39 162.44 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 2.93 110.989 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -110.89 147.0 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 2.92 110.787 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -52.05 -40.61 61.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 5.3 110.292 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -124.6 140.32 53.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 4.3 110.854 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -88.23 -160.06 35.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.825 -0.702 . . . . 4.09 112.273 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -50.61 150.86 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 7.57 111.269 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 87.76 1.72 82.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.971 -0.633 . . . . 6.31 112.524 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 157.36 72.6 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.449 0.166 . . . . 5.7 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.47 158.82 50.84 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.426 2.084 . . . . 6.54 112.261 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.65 124.77 19.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 6.78 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -143.57 156.24 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 5.03 111.157 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.69 130.87 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 5.11 110.463 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 52.7 ttp -67.96 80.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 5.21 110.714 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 29.8 m -141.73 -171.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.901 -0.59 . . . . 3.44 111.185 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 99' ' ' SER . 13.5 t70 73.29 48.19 0.17 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.031 -0.532 . . . . 3.67 110.957 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.595 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 37.6 m-80 -129.81 37.13 3.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.74 110.923 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -105.47 155.46 19.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 3.25 110.84 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 35.7 mmt180 -139.27 131.55 15.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 3.78 111.368 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 15.5 Cg_exo -68.33 173.09 10.15 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.557 2.171 . . . . 2.43 111.877 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.76 41.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.376 . . . . 3.18 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.21 145.2 57.64 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.465 . . . . 5.35 110.87 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -83.24 123.62 3.53 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.448 2.098 . . . . 4.02 112.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.03 -49.1 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 3.94 110.846 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -173.13 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 6.83 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -151.5 170.32 19.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 5.02 110.844 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -169.85 138.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 5.82 111.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -104.03 119.5 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 3.22 110.54 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 255' ' ' ILE . 4.1 mp -109.11 123.84 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.395 -0.366 . . . . 2.02 111.189 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.431 ' NZ ' HH22 ' A' ' 27' ' ' ARG . 61.7 mttp -97.97 100.8 12.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 2.91 110.737 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -113.29 168.62 9.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.425 . . . . 1.46 111.311 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 30.1 t -69.48 -37.16 77.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 2.32 110.432 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 87.5 t80 -112.01 144.45 41.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 3.3 110.902 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 260' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' TYR . 15.3 ptpt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.143 -0.932 . . . . 4.59 111.344 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 0.403 ' O3 ' ' N2 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.87 0.367 . . . . 32.91 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -153.23 -44.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.208 -0.451 . . . . 30.03 111.176 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -122.99 -32.68 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 29.61 111.072 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -137.72 119.43 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 26.81 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -145.91 170.46 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 25.62 110.918 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.7 7.92 52.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.829 -0.7 . . . . 23.39 112.811 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 57.12 -173.17 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.858 0.361 . . . . 23.38 111.053 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.69 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.655 -0.783 . . . . 19.99 112.637 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 6.6 ttpm? -79.65 -34.76 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 19.34 110.703 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -88.73 -24.59 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 18.14 110.651 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -95.32 -11.67 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 18.74 110.722 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.7 -175.36 41.04 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.758 -0.734 . . . . 16.42 112.531 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.0 117.13 4.27 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.662 2.241 . . . . 15.7 112.533 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -116.39 179.53 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 15.32 110.585 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 57.01 89.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.231 -0.44 . . . . 15.63 111.254 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -71.16 -15.28 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 11.72 111.127 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -86.37 -30.42 22.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 12.77 111.114 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -80.98 -20.26 42.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 15.94 110.639 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.31 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 12.96 110.941 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.38 135.24 21.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 10.55 111.113 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -78.67 19.36 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.366 2.044 . . . . 9.69 112.116 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 201' ' ' PRO . 59.4 mt -73.03 -36.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.007 -0.542 . . . . 8.17 110.823 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.41 -37.21 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 9.4 110.563 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.58 -10.28 59.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 13.28 110.567 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.03 99.71 0.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.846 -0.692 . . . . 8.88 112.401 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.82 83.85 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 8.92 110.991 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -120.57 13.06 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 9.6 111.172 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.48 -37.41 25.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 6.33 110.65 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -84.79 150.41 55.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 3.57 110.555 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HB2' ' O ' ' A' ' 246' ' ' PRO . 43.1 Cg_exo -56.51 129.31 34.02 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.461 2.107 . . . . 2.88 112.154 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 32' ' ' ASP . 20.2 t -120.44 165.65 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.157 -0.474 . . . . 2.26 110.631 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' HG12 ' A' ' 31' ' ' VAL . 18.8 t70 -86.6 98.64 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 2.44 110.856 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.602 ' HB ' HG12 ' A' ' 109' ' ' VAL . 2.5 mp -83.17 142.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.53 110.88 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB2' HG22 ' A' ' 37' ' ' THR . 11.8 m-20 -113.11 129.45 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 1.51 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -69.47 -8.91 51.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 1.95 111.236 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -89.96 -40.86 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 3.43 110.997 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -74.12 -17.08 60.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.303 -0.408 . . . . 1.73 110.978 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 157.53 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.886 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -133.12 147.93 52.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.864 0.364 . . . . 3.53 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 84.2 t80 -74.54 98.87 3.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.536 . . . . 4.17 110.644 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 102.76 49.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 3.04 111.023 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.84 20.69 0.86 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.383 2.055 . . . . 2.3 112.394 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 44' ' ' LEU . 92.2 p -59.48 -45.88 90.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.398 -0.365 . . . . 3.07 110.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' C ' ' A' ' 43' ' ' SER . 4.6 mm? -119.18 99.11 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 3.08 110.541 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.15 147.51 35.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 4.28 110.47 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.16 125.65 19.6 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.182 1.922 . . . . 2.41 111.563 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.0 tp -117.25 -57.68 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.501 -0.318 . . . . 5.24 110.982 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.9 p -135.31 142.03 45.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.432 -0.349 . . . . 2.67 111.221 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -151.87 114.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.037 -0.529 . . . . 2.44 111.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -109.26 146.57 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 2.58 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -176.3 34.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 4.87 110.781 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -91.97 -21.92 20.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 4.17 110.861 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -108.59 -0.52 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 4.62 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.83 120.71 6.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 1.97 110.966 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -146.25 143.37 29.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.962 0.41 . . . . 1.9 111.717 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.1 p -99.75 165.05 11.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.956 -0.565 . . . . 1.87 110.572 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 71' ' ' ASP . 4.2 mm? -111.29 -39.42 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 3.58 111.649 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -178.06 167.81 2.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 4.62 111.43 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 tt -124.83 123.61 66.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.624 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -113.22 150.56 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 2.58 111.178 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.558 ' ND2' HG21 ' A' ' 166' ' ' ILE . 19.8 m-80 -116.92 148.84 41.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.015 -0.538 . . . . 1.94 110.495 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -106.84 23.27 14.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.501 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.95 14.4 62.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.313 -0.946 . . . . 2.64 112.45 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 56.1 t60 -176.05 -61.78 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.747 0.308 . . . . 4.34 110.893 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.6 149.48 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 2.12 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -123.68 135.14 53.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 3.39 111.142 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -130.24 148.43 52.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 2.57 110.717 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -96.48 145.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.95 110.785 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.626 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 43.1 tt0 -120.34 117.42 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 3.84 111.064 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.89 171.21 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 4.12 110.571 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' HD21 ' A' ' 57' ' ' LEU . 22.6 t70 -72.88 122.2 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 3.04 110.636 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.94 -11.78 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 3.88 110.711 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.5 t -64.26 -24.15 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 3.2 111.058 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -152.6 154.09 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 4.06 110.769 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.95 121.98 31.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.252 -0.431 . . . . 2.84 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 4.1 mptp? -94.79 -76.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 3.26 111.087 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.74 135.27 36.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 1.42 111.213 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.14 156.0 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 1.72 110.748 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.93 155.73 46.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 2.3 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -159.37 140.46 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.819 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.44 176.96 50.14 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.803 -0.713 . . . . 2.5 112.385 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.12 -77.39 0.18 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.543 -0.837 . . . . 2.63 112.417 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.28 -7.31 17.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.458 2.106 . . . . 4.13 112.11 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . 28.7 tp -83.45 115.59 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 3.0 110.754 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -102.16 49.78 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.057 0.456 . . . . 5.04 110.731 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.7 85.71 0.23 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.906 -0.664 . . . . 1.92 112.422 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -55.68 152.66 9.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.653 0.263 . . . . 1.68 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 81.8 m-85 -125.12 131.38 53.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 3.43 111.33 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -103.77 129.84 51.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 3.79 110.792 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 pt? -84.15 142.32 30.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.649 0.261 . . . . 2.52 110.361 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.651 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.1 mp -111.84 -71.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 111.896 0.332 . . . . 2.47 111.896 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 91' ' ' ILE . 49.2 mt-30 -149.16 166.7 28.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.573 0.225 . . . . 2.41 111.054 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -158.3 154.74 27.62 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.237 0.541 . . . . 1.57 111.81 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 4.5 p-80 -129.78 169.87 14.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.36 -0.836 . . . . 1.29 110.098 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -109.91 138.06 46.82 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.032 0.444 . . . . 3.19 112.063 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -95.2 164.05 13.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.798 -0.637 . . . . 1.68 109.631 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -142.8 145.17 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 5.75 111.248 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -118.4 161.88 13.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.23 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 t -68.9 -30.83 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 4.29 110.817 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.77 141.41 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 5.2 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.49 5.33 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 5.33 111.089 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.68 -15.65 4.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.471 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 113' ' ' LYS . 21.8 pt20 -164.58 164.9 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 4.67 111.112 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.33 85.2 0.55 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.899 -0.667 . . . . 1.95 112.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 35.0 t -155.18 -79.55 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.67 0.271 . . . . 2.04 111.053 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.666 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 47.6 mt-10 -148.26 -99.9 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.425 -0.352 . . . . 2.64 111.85 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.97 176.33 2.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.94 0.4 . . . . 2.11 111.579 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 113' ' ' LYS . 95.9 m -141.79 86.06 1.97 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.941 -0.572 . . . . 1.88 110.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' HB ' ' A' ' 33' ' ' ILE . 19.8 m -89.32 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 2.24 111.165 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.87 35.39 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 2.18 110.592 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.9 mttp 58.82 14.64 3.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.015 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -124.3 116.46 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 3.86 110.623 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.534 ' N ' HG23 ' A' ' 108' ' ' THR . 40.1 ttmt -71.67 144.65 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 2.57 111.303 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 105' ' ' SER . 69.6 m-85 -70.0 137.7 51.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 2.18 109.987 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.96 -25.2 37.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 1.72 111.287 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.5 145.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 1.55 110.603 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -143.96 155.22 43.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 2.4 111.085 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 5.4 mt -99.61 140.52 33.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 2.07 110.943 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.99 94.97 8.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 1.71 109.891 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 90' ' ' LEU . 41.2 tp -107.41 103.38 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 2.51 110.714 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.09 115.35 32.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 1.83 111.019 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.572 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 7.7 p80 -131.6 143.56 50.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.983 -0.553 . . . . 2.43 110.264 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -147.57 171.7 15.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.398 . . . . 3.95 111.275 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.45 HD22 ' HE2' ' A' ' 126' ' ' LYS . 2.3 m-20 -54.33 112.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 2.19 110.814 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -78.92 -15.02 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.77 111.631 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HE2' HD22 ' A' ' 124' ' ' ASN . 56.7 pttt -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 3.65 111.036 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.428 ' HB3' ' HB2' ' A' ' 132' ' ' LYS . 56.0 m-85 -81.9 -29.13 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 4.38 110.849 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.95 56.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 2.22 112.347 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.93 143.8 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 3.07 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 134' ' ' VAL . 52.0 p90 -75.02 -28.8 60.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 3.08 110.663 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.31 -22.28 70.95 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 2.36 112.052 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 127' ' ' TYR . 46.6 mmtm -90.5 -38.57 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 3.63 110.72 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 1.73 111.83 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 130' ' ' PHE . 16.2 m -70.63 2.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 2.3 111.824 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.22 -13.77 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 3.84 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -90.44 155.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.008 -0.542 . . . . 3.22 110.505 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.04 -16.39 32.57 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.53 2.153 . . . . 2.44 112.135 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -115.26 -12.68 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 2.64 110.838 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.17 -95.27 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.04 -0.6 . . . . 1.49 112.52 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.43 163.38 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.656 0.265 . . . . 1.76 110.355 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 209' ' ' ILE . . . -122.74 164.91 17.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.923 0.392 . . . . 0.98 111.529 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.62 145.06 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 1.3 110.499 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 74.0 mt -104.44 144.12 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 2.1 111.061 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -98.98 116.49 5.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 1.4 112.367 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 211' ' ' LEU . 32.5 mm -124.2 144.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.398 0.142 . . . . 1.53 111.093 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.4 t80 79.84 -61.25 0.3 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.735 0.647 . . . . 4.48 110.65 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.8 mt 55.93 -88.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 3.25 111.994 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.39 158.45 21.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.692 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.9 153.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 3.13 111.089 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.58 141.64 4.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 3.15 112.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.6 m 58.51 75.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 3.85 110.715 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 217' ' ' VAL . . . -61.03 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.058 -0.519 . . . . 3.82 111.684 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 19.4 pttm -56.38 136.06 76.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 5.19 111.362 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 7.9 Cg_exo -73.1 11.15 0.97 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.688 2.259 . . . . 3.09 111.94 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.16 64.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.067 -0.587 . . . . 2.71 112.11 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 159' ' ' VAL . 80.9 mt -129.36 26.68 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.94 110.923 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -54.67 -21.42 10.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 3.55 111.368 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -58.07 -33.1 68.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 4.82 111.112 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 156' ' ' LEU . 5.9 p -65.88 -25.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.369 -0.378 . . . . 3.12 110.866 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.75 -26.35 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 3.14 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.97 -54.75 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 3.01 110.467 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.91 -27.07 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 2.46 110.807 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -32.34 71.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 2.31 110.939 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.65 -12.55 4.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 2.42 110.784 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -69.92 -7.05 37.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.125 -0.489 . . . . 1.85 111.04 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.558 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -125.05 51.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 2.44 110.551 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.444 ' HD2' HD13 ' A' ' 228' ' ' LEU . 58.8 tptt -50.52 -42.29 54.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.973 -0.558 . . . . 3.75 110.648 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.662 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 73.0 p -105.27 144.88 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 2.36 110.74 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -79.68 143.45 34.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.961 0.41 . . . . 3.46 111.026 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -10.02 26.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.958 -0.639 . . . . 2.2 112.694 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -95.51 175.83 6.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.785 0.326 . . . . 3.33 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 83.9 p -122.88 165.94 15.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.514 . . . . 2.27 110.993 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.21 148.87 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 1.89 110.885 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.61 148.42 25.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 3.74 111.079 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -156.25 105.43 2.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 4.47 110.955 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.7 t -123.75 -179.96 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 4.59 110.863 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 61.2 56.83 2.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.183 -0.462 . . . . 6.35 110.983 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.95 146.56 54.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 4.67 110.626 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.76 113.15 54.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 3.92 110.971 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.12 -9.93 17.85 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.073 . . . . 4.59 112.7 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -74.46 -14.47 60.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.371 . . . . 8.64 110.756 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -83.95 -3.78 88.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.651 -0.785 . . . . 3.43 112.343 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 79.6 mt -114.59 11.92 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.587 0.232 . . . . 5.71 111.027 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.7 137.97 77.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 4.53 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.57 129.95 8.62 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.514 2.143 . . . . 3.71 112.269 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -79.54 -32.5 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 6.38 110.981 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 36.2 t -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 5.07 111.057 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.6 mt -91.38 46.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 4.32 111.001 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 13.2 m-20 -147.72 160.88 42.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 3.78 110.751 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.6 175.98 5.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 3.36 110.617 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.596 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.4 m-90 -118.27 164.77 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 4.16 110.481 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 257' ' ' ALA . 11.8 t -138.48 169.22 18.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.85 0.357 . . . . 1.5 111.335 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -154.45 87.72 3.46 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 2.91 110.683 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.636 ' HA ' HG23 ' A' ' 207' ' ' THR . 38.1 Cg_endo -65.4 127.96 19.29 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.494 2.129 . . . . 1.48 112.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -163.45 -138.48 2.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.825 -0.702 . . . . 1.64 112.257 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 204' ' ' GLU . 83.4 p -157.29 -175.67 5.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.546 0.213 . . . . 2.75 110.557 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.48 170.04 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.394 . . . . 5.98 111.215 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 5.1 m -85.95 5.6 32.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 5.3 110.449 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.551 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 17.4 p -95.74 164.36 19.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 4.96 110.551 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 78.1 Cg_exo -39.78 150.98 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.636 2.224 . . . . 5.64 112.44 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.452 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 53.1 Cg_exo -52.79 94.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.42 2.08 . . . . 6.0 112.667 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 200' ' ' PRO . 94.1 mt -111.1 -44.61 3.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.987 -0.551 . . . . 5.41 110.763 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 203' ' ' LEU . 0.6 OUTLIER -163.58 144.43 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.216 0.531 . . . . 5.02 111.423 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 196' ' ' SER . 30.0 tt0 -101.85 23.61 11.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.524 0.678 . . . . 3.98 109.246 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 87.1 m -86.32 30.33 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.006 -0.997 . . . . 2.48 111.138 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.74 110.52 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 1.8 111.098 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 194' ' ' PRO . 47.3 m -113.12 143.57 44.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 1.27 111.327 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -111.65 115.28 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.708 HD13 ' HB1' ' A' ' 141' ' ' ALA . 2.6 mp -101.99 142.32 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 1.45 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 191' ' ' TRP . 11.1 m -125.95 132.47 70.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 2.12 111.221 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 145' ' ' ILE . 91.5 mt -68.99 165.4 20.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 3.85 111.335 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -74.28 -55.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 5.85 111.34 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.17 75.33 11.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 5.91 110.875 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.17 173.59 14.26 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.578 2.185 . . . . 3.58 112.362 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 7.1 tp -66.39 133.72 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 4.42 111.093 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 80.3 p -137.1 172.92 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 3.53 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 152' ' ' ALA . 46.7 t -127.31 137.85 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 2.45 111.042 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 43.2 t -71.42 148.07 47.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.17 -0.468 . . . . 3.39 111.057 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.8 m -68.73 -15.36 63.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 2.82 111.064 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.21 -40.54 90.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.918 0.39 . . . . 4.51 110.508 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -76.98 -17.47 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 3.92 110.715 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 51.6 t -79.58 -22.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 2.44 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.08 -33.21 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 2.8 110.748 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.25 -30.93 25.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.932 -0.577 . . . . 3.78 111.161 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -70.03 -15.75 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 3.33 110.814 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -67.08 -15.11 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 4.82 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -69.13 -28.52 66.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 3.25 110.799 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 167' ' ' LYS . 3.9 mm? -63.64 158.02 22.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 2.93 110.74 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -88.13 144.41 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 2.92 110.82 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 46.8 p90 -95.8 3.42 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 5.3 111.163 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -175.07 68.08 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 4.3 111.119 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 232' ' ' GLY . . . . . 0.662 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . 61.69 173.04 1.33 Allowed Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.908 -0.663 . . . . 4.09 112.856 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -72.38 157.05 38.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 7.57 110.983 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 97.29 11.41 52.1 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.781 -0.723 . . . . 6.31 112.253 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 236' ' ' PRO . 17.1 mm-40 -127.4 137.53 30.88 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.4 0.143 . . . . 5.7 110.904 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 236' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 235' ' ' GLU . 35.0 Cg_exo -60.23 130.26 33.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.467 2.112 . . . . 6.54 111.964 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.37 119.99 3.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 6.78 110.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -152.8 149.6 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 5.03 110.764 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.98 146.92 45.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 5.11 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.428 ' HE3' ' HB2' ' A' ' 240' ' ' MET . 58.2 mtm -82.11 41.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 5.21 111.385 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.06 132.98 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 3.44 110.967 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.2 t70 179.51 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 3.67 110.63 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -88.71 38.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 3.74 111.547 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 244' ' ' TRP . . . . . 0.453 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 63.3 p-90 -97.26 149.52 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 3.25 110.389 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.666 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 31.5 mtp180 -140.74 146.05 42.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 3.78 111.201 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 30' ' ' PRO . 95.0 Cg_endo -85.37 171.79 8.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.711 2.274 . . . . 2.43 111.751 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 247' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' PRO . . . -166.91 45.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 3.18 111.121 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -55.7 140.43 67.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 5.35 110.94 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.65 126.06 7.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.373 2.049 . . . . 4.02 112.455 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 60.8 tp -77.56 -48.74 16.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 3.94 110.593 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -165.73 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 6.83 110.835 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -173.98 163.36 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.02 111.16 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -175.42 149.06 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 5.82 110.499 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -102.3 125.25 48.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.036 0.446 . . . . 3.22 110.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 33' ' ' ILE . 1.1 pp -116.42 145.84 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 2.02 111.397 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -91.66 156.91 17.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 2.91 110.668 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.621 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -163.87 147.66 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.46 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.3 t -63.46 -22.21 66.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.095 0.474 . . . . 2.32 110.092 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 85.1 t80 -112.01 161.45 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.56 -0.746 . . . . 3.3 110.293 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 260' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 67.1 mttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.134 -0.936 . . . . 4.59 111.251 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.394 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.716 0.293 . . . . 32.91 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -131.93 146.94 52.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 30.03 110.999 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -130.89 -0.5 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 29.61 110.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -141.21 100.12 3.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.029 -0.532 . . . . 26.81 110.782 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -129.62 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 25.62 110.693 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.88 -15.2 10.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.808 -0.711 . . . . 23.39 112.277 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -131.48 -179.77 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 23.38 110.688 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.1 74.63 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.588 -0.815 . . . . 19.99 112.73 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.03 -35.51 42.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 19.34 110.65 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -74.92 -11.6 60.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 18.14 110.684 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -93.21 -13.5 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 18.74 110.624 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.68 166.67 13.82 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.814 -0.708 . . . . 16.42 112.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.97 150.59 38.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.536 2.157 . . . . 15.7 112.215 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.88 -174.92 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 15.32 110.896 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.9 m80 57.77 90.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.057 -0.52 . . . . 15.63 111.037 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -66.84 -18.8 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 11.72 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -70.25 -38.26 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 12.77 111.015 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -86.17 19.83 2.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 15.94 111.524 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.17 -61.82 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 12.96 111.198 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -132.25 151.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 10.55 110.688 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.72 33.44 0.48 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.528 2.152 . . . . 9.69 112.732 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mm -81.53 -51.0 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.987 0.422 . . . . 8.17 110.572 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.75 -28.8 22.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 9.4 110.656 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -86.06 -17.76 34.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.549 . . . . 13.28 110.995 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.43 89.81 0.21 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.665 -0.779 . . . . 8.88 112.749 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.96 -47.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.554 0.216 . . . . 8.92 111.238 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.701 ' HD3' ' H ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -92.48 3.12 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 9.6 110.471 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -97.65 68.27 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.857 -0.61 . . . . 6.33 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -140.04 69.41 35.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.08 -0.509 . . . . 3.57 110.881 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.84 126.99 9.8 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.716 2.277 . . . . 2.88 112.193 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 32' ' ' ASP . 35.0 t -127.53 158.89 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.26 -0.427 . . . . 2.26 110.571 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HA ' HG23 ' A' ' 108' ' ' THR . 7.1 m-20 -92.03 98.78 11.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.375 . . . . 2.44 110.259 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 255' ' ' ILE . 3.7 mp -86.49 129.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.17 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -113.21 128.81 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 1.51 111.009 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -62.1 -20.85 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.95 111.19 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -82.97 -39.38 21.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 3.43 110.959 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 p -74.25 -14.97 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 1.73 110.866 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.97 151.26 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 1.29 110.645 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -146.15 149.89 34.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 3.53 111.074 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -62.05 135.57 57.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 4.17 111.006 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -122.72 95.29 46.68 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.412 . . . . 3.04 110.877 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.71 40.05 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.708 2.272 . . . . 2.3 112.653 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.91 -45.48 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 3.07 110.977 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.4 tp -169.06 95.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 3.08 110.659 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -89.52 155.17 48.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 4.28 110.597 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.41 160.52 13.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.363 2.042 . . . . 2.41 111.838 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 tp -94.97 -65.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 5.24 110.717 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -136.16 151.71 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 2.67 110.965 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.61 113.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 2.44 111.475 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' HG12 ' A' ' 78' ' ' VAL . 21.3 t -113.73 147.43 38.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 2.58 110.655 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -171.49 34.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 4.87 111.083 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -88.51 -23.32 23.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 4.17 110.194 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -98.09 -2.88 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.583 -0.735 . . . . 4.62 110.555 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.27 120.57 4.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.059 -0.519 . . . . 1.97 111.256 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 178' ' ' PHE . 89.5 m -142.74 143.86 32.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.174 -0.466 . . . . 1.9 111.191 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -92.13 157.22 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.87 110.524 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -128.01 -39.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.385 . . . . 3.58 111.812 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -150.52 153.06 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 4.62 111.403 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.6 mt -132.09 104.69 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.05 -0.523 . . . . 1.72 110.805 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -113.12 153.04 28.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 2.58 110.958 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -96.75 157.51 15.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.86 0.362 . . . . 1.94 111.02 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -106.52 23.49 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 3.13 111.429 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.25 81.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.373 -0.918 . . . . 2.64 112.342 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -161.88 -57.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 4.34 110.619 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.93 168.66 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 2.12 110.504 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -120.27 133.91 55.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.929 0.395 . . . . 3.39 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.86 152.4 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 2.57 110.848 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.45 147.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.95 110.785 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -129.06 163.37 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 3.84 110.999 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.65 167.47 10.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 4.12 111.216 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.99 122.7 18.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 3.04 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.99 -10.55 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 3.88 110.731 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -56.72 -35.83 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 3.2 110.959 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -168.01 172.52 8.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 4.06 111.178 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.3 124.23 31.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 2.84 110.814 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 71.4 mmtt -90.46 -79.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 3.26 111.398 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.53 136.55 33.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.501 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 14.9 p -110.85 148.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 1.72 110.876 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -143.26 117.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 2.3 111.18 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -134.35 152.61 51.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.221 -0.445 . . . . 2.67 110.304 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.86 95.96 0.77 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.484 -0.865 . . . . 2.5 112.886 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.14 -147.85 40.09 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.507 -0.854 . . . . 2.63 112.459 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.81 30.6 0.44 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.596 2.197 . . . . 4.13 112.604 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.74 117.98 12.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 3.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 5.04 111.055 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.14 44.96 3.4 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.589 -0.815 . . . . 1.92 112.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -67.72 152.15 46.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 1.68 111.199 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -150.4 142.1 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 3.43 110.063 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HG3' ' HA ' ' A' ' 78' ' ' VAL . 3.7 mpt_? -96.84 111.63 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.991 0.425 . . . . 3.79 111.389 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 122' ' ' HIS . 20.8 tp -128.42 143.47 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 2.52 110.623 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 tp -160.03 92.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.294 0.569 . . . . 2.47 111.464 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -154.03 132.92 12.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.338 -0.846 . . . . 2.41 110.074 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -154.2 160.78 42.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.57 111.719 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.7 p-80 -123.03 167.99 12.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.39 154.4 27.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.024 0.44 . . . . 3.19 111.946 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -116.07 168.59 9.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.738 -0.665 . . . . 1.68 110.334 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -175.51 88.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 5.75 110.433 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 244' ' ' TRP . . . -58.95 179.61 1.48 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.85 -0.69 . . . . 3.04 112.873 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.9 m -70.63 -17.93 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.715 0.293 . . . . 4.29 111.108 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.57 139.85 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 5.2 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -97.75 -4.78 36.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 5.33 111.053 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.09 -45.95 2.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 4.18 112.118 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 11.6 pt20 -172.11 149.59 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 4.67 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 1.95 112.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -90.28 156.18 18.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.529 0.204 . . . . 2.04 110.467 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -54.83 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 2.64 110.822 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -87.61 176.02 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 2.11 110.592 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.5 t -141.6 99.16 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 1.88 111.251 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 33' ' ' ILE . 20.0 m -89.15 158.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 2.24 111.019 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.5 t70 53.42 28.1 7.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 2.18 110.831 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mttp 63.64 1.2 1.0 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 3.37 111.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -106.71 149.46 27.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 3.86 110.996 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 113' ' ' LYS . 4.4 ttmp? -111.09 150.02 29.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 2.57 110.783 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -108.44 168.05 9.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 2.18 110.923 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -84.06 -51.92 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 1.72 111.127 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.16 167.24 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.55 111.064 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HA ' ' H ' ' A' ' 147' ' ' LEU . 12.3 pt-20 -152.63 142.2 21.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 2.4 111.364 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 145' ' ' ILE . 2.9 pp -92.22 148.01 22.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.221 -0.445 . . . . 2.07 110.363 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -120.54 108.65 14.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 1.71 111.619 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.5 tt -105.56 118.69 37.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 2.51 110.109 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.8 t -95.61 147.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 1.83 111.468 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.658 ' HA ' HD23 ' A' ' 90' ' ' LEU . 83.1 t60 -131.87 148.91 52.57 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.149 -0.478 . . . . 2.43 111.147 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 14.0 p90 -163.79 151.74 12.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 3.95 110.9 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -83.55 150.92 25.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 2.19 111.244 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 t -82.61 -15.07 53.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 1.77 111.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -63.04 -25.45 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 3.65 110.618 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -85.38 -13.73 48.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 4.38 110.727 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.1 -33.67 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 2.22 112.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -170.74 170.54 6.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.07 111.072 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -65.92 -20.9 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 3.08 110.982 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.57 96.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 2.36 112.526 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -86.35 -23.05 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.005 0.431 . . . . 3.63 110.444 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.27 69.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 1.73 111.002 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.18 -14.94 11.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.143 -0.481 . . . . 2.3 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.68 7.04 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 3.84 111.178 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -130.83 155.09 81.9 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 3.22 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.97 -51.53 4.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.303 2.002 . . . . 2.44 112.006 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -111.81 26.48 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 2.64 110.879 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.91 -51.77 47.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 1.49 112.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.84 158.52 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 1.76 110.76 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.27 159.38 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.98 111.138 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.9 t -119.35 109.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.3 111.057 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.527 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 3.5 mm? -86.8 107.91 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 2.1 110.738 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -101.6 117.79 5.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 1.4 112.328 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.594 HD12 HD11 ' A' ' 118' ' ' LEU . 86.5 mt -113.9 138.08 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.902 0.382 . . . . 1.53 111.362 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -105.74 115.21 29.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.012 -0.54 . . . . 4.48 110.982 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.485 HD21 HD23 ' A' ' 118' ' ' LEU . 94.3 mt -64.91 151.16 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 3.25 110.947 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 216' ' ' SER . 23.0 pttp -112.91 134.67 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 4.32 110.524 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.58 144.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 3.13 111.213 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.72 170.35 12.72 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.827 -0.701 . . . . 3.15 112.495 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.9 m 60.11 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.898 0.38 . . . . 3.85 110.928 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.4 ' HA ' ' OG ' ' A' ' 218' ' ' SER . . . -62.18 179.43 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.946 -0.57 . . . . 3.82 111.624 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.2 115.75 22.15 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.015 -0.539 . . . . 5.19 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.41 -6.81 15.73 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.406 2.071 . . . . 3.09 112.077 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.39 65.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.237 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 159' ' ' VAL . 17.3 tp -121.48 25.9 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 3.94 110.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.33 -21.41 49.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 3.55 110.985 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -52.14 -47.84 65.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 4.82 111.731 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.494 HG12 ' HG ' ' A' ' 156' ' ' LEU . 13.2 p -75.89 -25.05 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 3.12 111.403 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.8 -25.8 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.035 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.33 -44.15 53.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 3.01 110.736 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.62 -21.32 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.181 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -45.29 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 2.31 111.011 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.76 -16.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 2.42 110.71 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.2 t -83.89 -39.83 19.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.993 -0.549 . . . . 1.85 110.798 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.67 37.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 2.44 111.162 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -58.8 -48.88 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 3.75 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.45 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 67.7 p -95.81 148.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 2.36 111.01 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 3.9 mptp? -61.38 143.73 55.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 3.46 110.909 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -15.21 25.4 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.95 -0.643 . . . . 2.2 112.153 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -98.27 173.46 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 3.33 110.92 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.7 p -157.25 165.07 36.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 2.27 110.796 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.82 130.37 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.89 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -78.9 140.61 38.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 3.74 111.015 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -155.33 105.06 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 4.47 110.587 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 5.2 t -109.75 179.27 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 4.59 110.885 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.4 m120 60.9 57.0 2.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.909 0.385 . . . . 6.35 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' PHE . . . . . 0.657 ' H ' HG23 ' A' ' 55' ' ' THR . 76.7 t80 -82.07 146.75 29.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 4.67 110.481 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -115.75 84.93 13.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 3.92 111.123 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.55 -18.93 66.15 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.433 2.089 . . . . 4.59 111.992 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ARG . . . . . 0.483 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 87.1 mtm180 -75.24 -35.11 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 8.64 110.463 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -61.19 -22.63 61.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.596 -0.812 . . . . 3.43 111.924 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 72.1 mt -118.78 1.27 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 5.71 110.839 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 32.3 tp -62.89 116.68 25.92 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 4.53 111.08 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.37 141.46 14.26 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.377 2.051 . . . . 3.71 112.405 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.32 -7.9 52.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 6.38 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 149.6 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 5.07 110.737 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 189' ' ' ASP . 3.4 tt -149.21 127.93 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 4.32 110.816 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.508 ' N ' HD23 ' A' ' 188' ' ' LEU . 4.5 p30 -170.51 144.33 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 3.78 110.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -144.92 141.11 28.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 3.36 111.296 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 209' ' ' ILE . 35.7 m0 -119.43 170.21 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 4.16 110.563 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.591 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 7.0 t -145.86 153.1 40.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 1.5 111.477 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' TYR . . . . . 0.427 ' HD1' ' HG2' ' A' ' 256' ' ' LYS . 92.8 t80 -172.3 126.95 0.55 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.085 -0.507 . . . . 2.91 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.13 127.71 20.94 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.175 1.917 . . . . 1.48 111.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -96.16 156.22 21.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.64 112.929 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 36.6 m -142.49 179.52 6.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.267 -0.272 . . . . 2.75 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.784 ' HG ' ' H ' ' A' ' 199' ' ' THR . 2.5 pt? -66.89 -167.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.003 -0.279 . . . . 5.98 110.773 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' THR . . . . . 0.43 HG23 HG23 ' A' ' 199' ' ' THR . 4.0 t -67.63 -30.11 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.937 0.399 . . . . 5.3 111.37 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.784 ' H ' ' HG ' ' A' ' 197' ' ' LEU . 28.6 p -89.03 165.92 24.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 4.96 110.526 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.626 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 31.3 Cg_exo -36.13 152.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.952 2.434 . . . . 5.64 113.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -40.29 104.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.096 2.531 . . . . 6.0 113.199 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.436 ' HG ' HD23 ' A' ' 203' ' ' LEU . 64.0 tp -139.66 -56.97 0.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 5.41 110.876 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 197' ' ' LEU . 17.6 mt -92.42 85.27 5.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.892 0.377 . . . . 5.02 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.49 34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 3.98 111.22 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 40.7 t -85.05 -8.82 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.194 0.521 . . . . 2.48 110.187 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.16 115.12 31.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 1.8 110.912 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.493 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 16.8 m -90.95 142.09 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 1.27 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 208' ' ' TRP . . . . . 0.466 ' HZ3' ' HE2' ' A' ' 119' ' ' HIS . 44.6 m95 -116.78 114.71 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.447 . . . . 2.43 111.699 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.527 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 2.9 mp -102.24 146.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 1.45 109.946 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 16.9 m -130.36 136.9 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.065 0.46 . . . . 2.12 112.2 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 211' ' ' LEU . 3.4 mm? 59.04 39.58 23.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.646 -0.706 . . . . 3.85 111.187 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.1 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.379 . . . . 5.85 110.534 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -164.69 83.04 1.22 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.22 -0.446 . . . . 5.91 110.88 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.53 151.16 64.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.617 2.212 . . . . 3.58 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.66 147.94 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.06 -0.518 . . . . 4.42 110.686 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' SER . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 148' ' ' LYS . 39.2 t -83.47 107.13 15.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 3.53 111.313 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 147' ' ' LEU . 26.5 m -144.69 144.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 2.45 110.404 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 222' ' ' VAL . 84.7 p -116.42 158.59 23.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 3.39 111.488 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 78.3 p -56.19 -27.99 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 2.82 110.595 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.55 -36.28 82.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 4.51 109.96 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -77.11 -27.09 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 3.92 110.053 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 218' ' ' SER . 14.3 t -76.35 -13.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.44 110.467 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.5 tp -62.79 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.6 . . . . 2.8 110.834 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.48 ' HD2' ' H ' ' A' ' 224' ' ' LYS . 1.2 mptp? -85.68 -33.14 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 3.78 110.983 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -75.53 -25.86 57.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 3.33 111.358 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.427 ' HD2' HD12 ' A' ' 223' ' ' LEU . 11.3 ptp180 -81.26 -5.85 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 4.82 110.89 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 97.5 mttt -69.96 -28.61 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 3.25 110.794 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.48 162.01 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.048 -0.524 . . . . 2.93 110.781 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -100.89 157.45 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 2.92 110.854 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.76 -6.06 7.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 5.3 110.643 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -171.24 163.57 7.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 4.3 110.57 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 232' ' ' GLY . . . . . 0.45 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . -82.6 178.35 53.33 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.792 -0.718 . . . . 4.09 112.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.87 157.58 1.64 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.981 0.42 . . . . 7.57 111.447 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.95 -3.27 44.85 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.839 -0.618 . . . . 6.31 112.361 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -141.17 160.54 57.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.422 -0.214 . . . . 5.7 110.422 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -48.11 137.22 23.53 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.606 2.204 . . . . 6.54 112.324 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.66 118.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.987 -0.552 . . . . 6.78 111.058 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -144.55 150.19 37.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 5.03 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.39 145.66 25.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 5.11 110.757 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 44.8 ttm -65.75 99.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 5.21 110.83 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 242' ' ' ASP . 16.8 m -142.55 178.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 3.44 111.442 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 241' ' ' VAL . 12.8 m-20 67.72 28.19 7.33 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.9 -0.591 . . . . 3.67 110.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.51 23.45 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 3.74 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 244' ' ' TRP . . . . . 0.495 ' HB3' ' HA3' ' A' ' 98' ' ' GLY . 14.8 p-90 -106.26 170.73 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 3.25 110.618 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -136.88 156.62 75.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 3.78 110.719 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 172.44 1.74 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.328 2.019 . . . . 2.43 112.277 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -155.35 32.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.12 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.11 110.14 2.44 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.108 -0.497 . . . . 5.35 111.224 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.37 127.09 18.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.489 2.126 . . . . 4.02 112.104 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 250' ' ' LEU . 2.9 mm? -78.1 -48.79 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 3.94 110.604 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -170.41 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 6.83 110.73 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -165.03 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 5.02 110.762 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 61.87 151.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.053 -0.522 . . . . 5.82 111.588 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -105.52 135.23 47.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 3.22 110.533 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.602 HG21 HG23 ' A' ' 33' ' ' ILE . 8.4 tp -116.07 142.34 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 2.02 111.348 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.427 ' HG2' ' HD1' ' A' ' 193' ' ' TYR . 21.0 ptmt -112.2 168.48 9.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 2.91 110.18 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.591 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.47 152.15 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.46 111.488 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.537 ' N ' HG22 ' A' ' 192' ' ' THR . 37.8 t -73.51 -22.02 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.763 -0.653 . . . . 2.32 109.992 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -112.19 142.58 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 3.3 110.51 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.262 -0.875 . . . . 4.59 111.081 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.397 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.75 0.31 . . . . 32.91 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -135.17 43.51 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 30.03 110.845 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.9 t60 59.04 91.04 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.929 -0.578 . . . . 29.61 111.145 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -107.66 -47.43 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 26.81 110.532 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -117.15 163.38 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.992 -0.549 . . . . 25.62 110.61 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.84 67.75 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.596 -0.811 . . . . 23.39 112.751 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -126.96 -65.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 23.38 110.959 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.9 -8.66 78.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.825 -0.702 . . . . 19.99 112.548 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 35.6 mmtp -72.11 -16.9 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 19.34 110.781 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -94.19 -28.4 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 18.14 110.93 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.22 -13.53 59.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 18.74 111.136 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.12 77.88 1.24 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.705 -0.76 . . . . 16.42 112.602 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HG3' ' HA ' ' A' ' 9' ' ' LYS . 64.1 Cg_endo -73.17 -43.14 0.78 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.541 2.161 . . . . 15.7 112.247 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.28 137.93 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 15.32 110.874 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -155.81 -65.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 15.63 110.901 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -79.73 -13.15 59.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 11.72 110.673 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -75.35 1.69 13.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 12.77 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -71.48 -7.28 46.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 15.94 110.773 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.42 -37.41 11.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 12.96 111.135 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -121.23 127.21 26.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 10.55 110.966 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.43 6.36 4.05 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.389 2.059 . . . . 9.69 112.226 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.459 HG21 ' HA ' ' A' ' 201' ' ' PRO . 65.7 mt -60.09 -30.57 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 8.17 110.797 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.59 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 9.4 110.388 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -74.37 -17.74 60.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.961 -0.563 . . . . 13.28 110.285 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.81 -115.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.792 -0.718 . . . . 8.88 112.222 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -155.7 33.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.662 0.268 . . . . 8.92 111.193 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' HA ' ' HG3' ' A' ' 201' ' ' PRO . 99.4 mtt180 59.11 22.05 10.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.058 0.456 . . . . 9.6 110.794 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HB2' ' H ' ' A' ' 196' ' ' SER . 19.5 tp60 55.63 60.47 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 6.33 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m -148.99 157.88 39.61 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 3.57 111.117 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.02 126.47 21.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.585 2.19 . . . . 2.88 112.291 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 26' ' ' GLU . 3.4 m -137.02 177.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.17 -0.468 . . . . 2.26 110.958 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.54 98.59 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 2.44 110.756 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.9 mp -88.57 132.39 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.53 111.054 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 7.1 m-20 -112.82 129.25 56.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 1.51 111.07 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -80.08 -45.15 18.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 1.95 110.914 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -65.38 -31.49 72.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 3.43 110.551 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 34' ' ' ASP . 27.7 m -86.23 -22.28 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 1.73 111.214 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.13 157.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 1.29 111.214 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -123.14 134.51 54.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 3.53 111.07 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -77.25 131.49 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 4.17 110.834 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -130.09 90.96 40.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 3.04 110.991 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.19 32.1 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.648 2.232 . . . . 2.3 112.334 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -68.98 -20.75 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 3.07 111.366 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.0 tp -154.23 112.19 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 3.08 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.03 144.72 29.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 4.28 110.901 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 45.4 Cg_exo -57.26 130.0 37.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.554 2.169 . . . . 2.41 111.913 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.24 -68.2 0.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.404 -0.362 . . . . 5.24 111.426 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 m -135.87 151.94 50.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 2.67 111.409 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.28 123.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.423 . . . . 2.44 111.383 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.3 t -113.39 150.78 32.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 2.58 110.725 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -168.9 39.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.063 0.459 . . . . 4.87 110.999 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -92.78 -39.54 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 4.17 110.5 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -80.38 -14.48 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 4.62 110.727 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.554 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.58 120.5 7.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 1.97 111.0 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -157.93 148.78 20.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 1.9 111.124 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 175' ' ' PHE . 63.0 m -81.89 151.19 27.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 1.87 110.64 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HH11 ' A' ' 58' ' ' ARG . 31.8 tp -110.61 -39.25 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 3.58 111.318 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.552 HH11 ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -172.13 161.71 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 4.62 110.764 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.1 mt -128.99 104.01 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 1.72 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.21 143.76 43.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 2.58 110.996 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 66' ' ' PHE . 1.8 m-20 -105.7 162.67 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 1.94 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -106.33 23.51 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 3.13 111.439 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.79 9.14 82.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 2.64 112.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -151.67 -57.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 4.34 110.468 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.89 153.81 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 2.12 110.514 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 28.6 p90 -120.84 133.84 55.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 3.39 111.534 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -132.63 150.22 52.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 2.57 110.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.85 111.9 37.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 1.95 111.215 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.02 143.8 26.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 3.84 110.925 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.407 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . 22.5 m-85 -103.58 149.34 24.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 4.12 110.767 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 27.0 t70 -58.8 105.3 0.3 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.546 . . . . 3.04 111.55 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.95 34.63 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 3.88 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -60.31 -43.63 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 3.2 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -143.23 -74.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 4.06 111.093 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.92 164.92 33.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 2.84 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 30.9 mtmm -143.7 -83.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 3.26 111.417 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.79 144.73 51.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 1.42 111.171 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.425 ' HB ' ' OG1' ' A' ' 87' ' ' THR . 19.6 m -138.36 132.43 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.669 . . . . 1.72 110.659 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tt -128.93 123.0 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 2.3 111.053 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -123.88 148.4 46.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 2.67 110.66 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -119.62 84.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.821 -0.704 . . . . 2.5 112.544 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.92 -173.23 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.841 -0.695 . . . . 2.63 112.323 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.94 2.3 5.57 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.034 . . . . 4.13 112.075 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.73 152.18 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 3.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -105.7 12.18 31.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 5.04 110.734 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.12 62.69 0.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 1.92 112.444 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.425 ' OG1' ' HB ' ' A' ' 78' ' ' VAL . 9.8 t -67.1 144.3 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 1.68 111.021 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -91.18 136.25 33.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 3.43 111.012 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -102.42 141.21 35.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 3.79 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 120' ' ' LEU . 6.5 mp -84.34 141.81 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 2.52 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -117.31 -68.98 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 111.935 0.346 . . . . 2.47 111.935 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -159.18 169.3 24.45 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.627 0.251 . . . . 2.41 111.339 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 54.1 p90 -152.0 162.48 41.02 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.88 0.371 . . . . 1.57 110.981 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.438 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.7 p-80 -131.0 168.9 16.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 1.29 110.892 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -110.8 157.76 19.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.94 0.4 . . . . 3.19 111.583 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.59 173.82 7.18 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.865 -0.607 . . . . 1.68 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -157.9 133.92 9.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 5.75 110.632 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.55 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -76.76 157.07 46.91 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.868 -0.682 . . . . 3.04 112.627 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t -79.3 -17.51 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 4.29 110.777 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 tp -87.52 152.58 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.316 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -87.22 21.6 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 5.33 110.812 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.69 -49.25 0.11 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.846 -0.693 . . . . 4.18 112.642 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -169.93 173.52 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.821 0.343 . . . . 4.67 111.126 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.79 80.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 1.95 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.9 t -95.15 -75.49 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.665 0.269 . . . . 2.04 110.932 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 245' ' ' ARG . 32.5 tt0 -175.8 -76.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 2.64 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -80.56 173.23 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 2.11 110.672 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 m -133.74 79.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.389 . . . . 1.88 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.488 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.8 m -81.98 147.55 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 2.24 111.183 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 51.21 39.64 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 2.18 110.82 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 56.22 25.15 8.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 3.37 111.548 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -135.74 155.49 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.402 . . . . 3.86 111.332 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -123.34 152.77 41.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.55 . . . . 2.57 110.525 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.41 170.7 7.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 2.18 111.058 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.44 43.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.346 -0.388 . . . . 1.72 111.302 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.96 169.37 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.55 110.81 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -152.78 138.69 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.733 0.301 . . . . 2.4 111.265 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 147' ' ' LEU . 4.0 pp -86.74 143.91 27.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 2.07 110.456 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.438 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -109.42 97.22 6.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 1.71 111.176 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.598 HD21 HD23 ' A' ' 90' ' ' LEU . 58.2 tp -105.84 122.61 46.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 2.51 111.037 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.95 123.59 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 1.83 110.841 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -128.08 107.21 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 2.43 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -111.49 159.18 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 3.95 110.978 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.02 128.05 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 2.19 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -63.03 -14.91 53.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 1.77 111.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.53 -28.88 69.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 3.65 110.701 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HB3' ' HB3' ' A' ' 132' ' ' LYS . 59.8 m-85 -93.21 -28.96 15.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 4.38 110.852 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.91 -6.17 35.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.846 -0.693 . . . . 2.22 112.593 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -168.9 158.77 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 3.07 110.922 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -73.02 -19.51 61.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.982 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.95 95.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 2.36 112.453 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 127' ' ' TYR . 87.5 tttt -85.57 -21.26 28.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 3.63 110.507 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.45 ' O ' ' HA2' ' A' ' 139' ' ' GLY . . . -70.24 -53.62 16.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.948 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.3 m -53.28 -16.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.024 -0.535 . . . . 2.3 111.658 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.05 13.55 1.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 3.84 110.599 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -131.62 153.42 81.52 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.842 -0.617 . . . . 3.22 110.46 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.71 -17.63 50.85 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.592 2.195 . . . . 2.44 112.449 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.28 -13.21 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 2.64 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 133' ' ' ALA . . . 42.6 -123.91 3.78 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 116.035 -0.529 . . . . 1.49 112.737 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 167.66 17.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 1.76 110.647 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -113.69 132.88 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.98 111.059 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 132.42 61.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.356 . . . . 1.3 111.372 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 211' ' ' LEU . 13.9 tp -86.87 144.12 27.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 2.1 110.542 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 210' ' ' VAL . . . -121.13 112.97 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.617 -0.802 . . . . 1.4 112.818 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.412 HG12 HD12 ' A' ' 211' ' ' LEU . 71.9 mt -130.41 107.31 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 1.53 110.984 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -69.13 160.53 30.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 4.48 110.796 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 118' ' ' LEU . 98.8 mt -138.76 111.75 7.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 3.25 110.971 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -112.52 147.23 37.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 4.32 110.77 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.27 155.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 3.13 111.466 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 83.32 76.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.854 -0.689 . . . . 3.15 112.73 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -165.6 37.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 3.85 110.852 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 61.79 155.46 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.047 -0.524 . . . . 3.82 111.211 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 4.6 ttmp? -89.98 132.65 35.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 5.19 110.5 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.436 ' HG2' ' HG ' ' A' ' 156' ' ' LEU . 91.0 Cg_endo -80.98 25.84 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.405 2.07 . . . . 3.09 112.474 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.12 44.05 8.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 2.71 112.653 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.436 ' HG ' ' HG2' ' A' ' 154' ' ' PRO . 79.4 mt -104.43 18.72 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 3.94 110.702 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.74 -21.9 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 3.55 110.796 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.01 -35.04 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.958 -0.565 . . . . 4.82 110.933 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -24.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.12 110.627 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' A' ' 224' ' ' LYS . 98.2 t -65.4 -32.35 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 3.14 110.683 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.11 -51.19 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 110.516 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.0 -17.9 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 2.46 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -51.98 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 2.31 111.068 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.61 -12.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 2.42 111.103 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.9 t -86.35 -38.05 17.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 1.85 110.836 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 13.3 pt -91.42 42.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 2.44 111.049 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.85 -40.19 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 3.75 110.752 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 134.18 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.36 111.323 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.539 ' HE3' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.65 145.75 31.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 3.46 110.998 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 93.07 3.84 65.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.874 -0.679 . . . . 2.2 113.041 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -109.39 149.86 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 3.33 110.932 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.3 p -97.26 165.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 2.27 111.243 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.63 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 1.89 111.117 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.93 155.79 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 3.74 110.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 50.7 p90 -61.44 136.35 58.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 4.47 110.943 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.9 t -143.83 -172.51 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 4.59 110.773 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 5.6 t30 60.07 56.81 3.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 6.35 111.08 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -93.09 142.35 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 4.67 110.574 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.52 91.0 32.41 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 3.92 111.337 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.64 -38.7 23.6 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.38 2.053 . . . . 4.59 111.757 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.08 -19.24 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 8.64 110.679 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.55 2.68 29.38 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 3.43 112.572 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.09 14.26 2.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.719 0.295 . . . . 5.71 110.753 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.21 151.21 27.89 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.445 . . . . 4.53 110.955 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -52.09 131.94 41.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.584 2.19 . . . . 3.71 112.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.81 -7.13 59.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 6.38 110.94 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 21.7 p 60.14 175.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.923 -0.58 . . . . 5.07 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.36 58.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 4.32 110.95 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -147.85 126.95 12.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.525 . . . . 3.78 110.869 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' A' ' 259' ' ' PHE . 43.5 p90 -168.66 158.01 8.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.395 -0.366 . . . . 3.36 110.689 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.717 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.0 m-90 -97.94 153.76 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 4.16 110.571 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.525 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -155.87 145.27 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 1.5 111.401 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -144.08 112.03 5.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 2.91 110.569 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.488 ' HA ' HG22 ' A' ' 207' ' ' THR . 50.3 Cg_exo -53.49 149.02 32.11 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.54 2.16 . . . . 1.48 112.688 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -143.69 -141.97 3.88 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.852 -0.689 . . . . 1.64 112.387 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.555 ' H ' ' HB2' ' A' ' 28' ' ' GLN . 80.7 p -135.57 179.8 6.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.765 0.317 . . . . 2.75 111.046 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.561 HD11 HD12 ' A' ' 203' ' ' LEU . 94.4 mt -63.5 -176.88 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 5.98 110.64 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 56.6 m -55.19 -29.54 58.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.16 0.505 . . . . 5.3 110.317 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.531 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 61.1 p -89.93 164.1 29.72 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 4.96 110.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 95.3 Cg_exo -43.65 164.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.619 2.213 . . . . 5.64 112.636 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.476 ' HG3' ' HA ' ' A' ' 27' ' ' ARG . 58.2 Cg_exo -35.31 98.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.131 2.554 . . . . 6.0 112.984 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.16 -47.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.387 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 197' ' ' LEU . 80.9 mt -146.05 130.81 18.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.853 0.358 . . . . 5.02 111.313 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 16.87 3.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 3.98 110.538 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 78.6 m -58.35 -17.45 20.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 2.48 110.988 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 45.9 t -123.97 122.65 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.8 111.155 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 194' ' ' PRO . 33.6 p -112.86 149.39 33.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 1.27 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -94.26 119.92 33.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.848 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.8 mp -115.03 140.56 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 1.45 110.72 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.494 HG12 ' HA3' ' A' ' 144' ' ' GLY . 11.0 m -137.22 119.81 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 2.12 111.452 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 143' ' ' LEU . 85.0 mt -62.22 152.44 33.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.615 . . . . 3.85 111.038 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -81.12 -13.41 58.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 5.85 111.324 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.74 85.79 17.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 5.91 110.869 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.82 141.9 17.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.621 2.214 . . . . 3.58 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 49.9 mm -72.37 146.98 10.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 4.42 110.865 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 t -127.26 127.74 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 3.53 111.132 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.22 169.54 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 2.45 110.942 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 37.1 t -103.59 148.1 26.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 3.39 110.799 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 48.4 t -60.2 -26.59 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 2.82 110.624 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -85.16 -20.35 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 4.51 110.69 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.97 -44.71 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 3.92 110.678 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.04 -15.55 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 2.44 110.924 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 62.7 tp -50.85 -45.05 59.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 2.8 111.242 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 0.5 OUTLIER -66.2 -29.97 70.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.349 . . . . 3.78 110.915 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.33 -26.94 62.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 3.33 110.873 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -70.53 -16.1 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 4.82 110.741 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -80.16 -30.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 3.25 111.203 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.11 162.3 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 2.93 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -99.32 147.14 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 2.92 111.127 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.434 ' C ' ' HG2' ' A' ' 169' ' ' LYS . 80.2 m-85 -104.3 3.86 33.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 5.3 111.117 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -133.76 107.57 7.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 4.3 111.365 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -80.25 -154.21 9.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 4.09 112.426 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -60.99 148.53 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 7.57 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 81.06 3.81 90.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.855 -0.688 . . . . 6.31 112.56 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 236' ' ' PRO . 9.8 mm-40 -136.87 145.87 52.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.496 0.189 . . . . 5.7 110.92 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 236' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 235' ' ' GLU . 24.4 Cg_exo -63.98 134.05 41.33 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.594 2.196 . . . . 6.54 112.376 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.39 92.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 6.78 111.024 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -139.26 160.86 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 5.03 110.504 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.8 mt -106.35 101.7 11.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.72 0.295 . . . . 5.11 111.267 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 21.4 ptm 32.3 45.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.568 -0.742 . . . . 5.21 111.902 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 31.3 m -78.42 171.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.779 -0.646 . . . . 3.44 111.296 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 62.24 31.63 17.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 3.67 110.874 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.03 43.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 3.74 110.937 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 244' ' ' TRP . . . . . 0.55 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 48.7 p-90 -136.3 161.75 34.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.183 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.483 ' HB3' ' HG3' ' A' ' 106' ' ' GLU . 14.5 tpt180 -141.0 131.08 13.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.769 -0.65 . . . . 3.78 110.765 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.14 153.17 79.13 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.407 2.072 . . . . 2.43 112.252 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -106.21 156.54 18.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.402 -0.363 . . . . 3.18 111.24 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 155.16 75.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 5.35 110.801 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 137.91 36.32 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.435 2.09 . . . . 4.02 112.198 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.25 -43.56 92.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.869 -0.605 . . . . 3.94 110.662 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 62.14 5.99 1.66 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.697 -0.683 . . . . 6.83 111.475 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -104.24 -29.08 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 5.02 110.526 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 69.52 0.62 3.01 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.658 -0.701 . . . . 5.82 111.544 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -144.12 117.35 8.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.808 0.337 . . . . 3.22 111.252 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 33' ' ' ILE . 7.9 tp -115.57 138.98 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 2.02 110.496 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' A' ' 256' ' ' LYS . 0.0 OUTLIER -97.14 160.35 14.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 2.91 110.929 -179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.717 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -158.62 168.22 27.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 1.46 110.813 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.6 t -78.29 -39.16 40.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.194 -0.457 . . . . 2.32 110.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.563 ' HB2' ' H ' ' A' ' 190' ' ' TYR . 90.7 m-85 -140.63 135.52 31.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.579 . . . . 3.3 111.038 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 4.59 111.137 -179.76 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.434 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.813 0.34 . . . . 32.91 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -61.38 105.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 30.03 110.779 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 56.34 74.22 0.4 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.03 -0.532 . . . . 29.61 110.962 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -169.02 140.95 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 26.81 110.793 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -141.21 162.65 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 25.62 110.823 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.21 165.75 29.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 23.39 112.183 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -112.61 -62.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.293 . . . . 23.38 110.772 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.12 155.17 26.01 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.861 -0.685 . . . . 19.99 112.626 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -77.04 -46.98 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 19.34 110.826 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.68 -14.72 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 18.14 110.542 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.92 2.34 46.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 18.74 110.812 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.79 175.36 16.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 16.42 112.496 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.04 134.58 37.46 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.637 2.225 . . . . 15.7 112.281 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -149.6 12.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.32 110.867 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -88.54 91.47 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 15.63 110.765 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.74 -16.68 51.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 11.72 110.673 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.21 -34.59 72.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.816 -0.629 . . . . 12.77 110.279 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -98.98 15.52 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 15.94 111.141 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -125.28 -75.37 0.59 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 12.96 111.301 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 96.4 m-85 -88.95 141.26 29.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 10.55 111.035 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD2' ' HG2' ' A' ' 200' ' ' PRO . 16.0 Cg_exo -67.85 -3.17 9.96 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.645 2.23 . . . . 9.69 112.018 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' A' ' 203' ' ' LEU . 2.1 mp -78.46 -41.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 8.17 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.04 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 9.4 110.484 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -71.88 -13.26 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 13.28 110.472 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.58 -78.5 1.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 8.88 112.467 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 43.4 tt0 -60.12 114.09 2.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.718 0.294 . . . . 8.92 111.081 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -114.0 9.61 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 9.6 110.901 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' HG2' ' HG3' ' A' ' 26' ' ' GLU . 29.3 pt20 -87.82 176.39 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 6.33 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.7 p -167.83 78.14 0.9 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 3.57 110.693 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 246' ' ' PRO . 18.8 Cg_endo -58.72 125.2 17.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.544 2.163 . . . . 2.88 112.169 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 33' ' ' ILE . 29.3 m -142.2 176.7 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.979 -0.555 . . . . 2.26 110.636 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -82.55 98.79 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.206 -0.452 . . . . 2.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.539 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 2.2 mm -76.96 140.84 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.62 . . . . 1.53 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -110.76 117.81 34.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.02 0.438 . . . . 1.51 111.009 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -80.28 -20.66 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.601 . . . . 1.95 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -79.45 -39.69 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 3.43 110.622 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -85.48 -13.78 48.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 1.73 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 152.47 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.29 111.224 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -135.09 138.31 43.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 3.53 110.786 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 29.1 p90 -83.55 150.42 25.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 4.17 110.969 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.84 130.65 23.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 3.04 110.597 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.53 34.53 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.393 2.062 . . . . 2.3 112.548 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -89.68 -33.5 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 3.07 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.8 mt -115.21 154.43 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 3.08 111.269 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.34 153.53 41.93 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.465 . . . . 4.28 110.943 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.16 125.66 19.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.388 2.059 . . . . 2.41 111.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.561 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 3.9 pp -97.88 155.65 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 5.24 111.188 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -123.24 140.36 53.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 2.67 110.803 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 24.8 m -102.72 139.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.594 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -113.51 149.57 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 2.58 110.597 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -167.45 40.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 4.87 110.779 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.39 -20.97 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 4.17 110.366 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -135.55 18.72 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 4.62 111.084 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -53.97 120.7 6.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.559 -0.291 . . . . 1.97 111.138 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 176' ' ' THR . 31.4 m -148.7 141.4 24.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 1.9 111.205 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.8 p -89.29 164.21 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 1.87 110.847 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -111.54 -38.92 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 3.58 111.282 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -177.77 168.93 2.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.393 -0.367 . . . . 4.62 110.868 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tt -132.87 117.47 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.072 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.33 154.04 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 2.58 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.39 156.55 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 1.94 110.666 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.79 23.49 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 3.13 110.951 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.05 -7.46 81.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.643 -0.789 . . . . 2.64 112.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -146.21 -66.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.718 0.294 . . . . 4.34 110.769 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.86 159.15 15.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.387 . . . . 2.12 110.803 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -124.45 137.09 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 3.39 110.95 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -132.96 150.95 52.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 2.57 110.666 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 93' ' ' PHE . 7.3 p -107.4 137.97 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 1.95 111.103 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -112.13 135.85 52.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.84 110.902 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -100.03 151.6 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 4.12 110.764 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.94 129.5 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 3.04 111.147 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -96.12 -19.3 19.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 3.88 110.977 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -69.93 -7.06 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 3.2 110.658 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -165.99 95.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.965 -0.561 . . . . 4.06 110.533 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.62 111.63 0.68 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 2.84 111.136 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 46.1 mmtm -82.62 -62.21 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 3.26 110.856 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -111.21 117.43 33.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 1.42 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 p -135.71 150.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.72 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -130.06 154.85 47.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.3 110.789 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG2' HG22 ' A' ' 87' ' ' THR . 52.3 mtpt -130.4 145.11 51.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.354 -0.384 . . . . 2.67 111.234 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA3' ' HB3' ' A' ' 47' ' ' LEU . . . -170.31 178.57 42.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.969 -0.634 . . . . 2.5 112.179 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.44 175.08 7.71 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.425 -0.893 . . . . 2.63 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.17 -50.38 2.9 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.674 2.249 . . . . 4.13 112.359 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.38 144.94 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 3.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -85.82 3.54 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 5.04 110.864 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.89 131.51 31.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.592 -0.813 . . . . 1.92 111.962 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 80' ' ' LYS . 33.5 p -87.44 156.31 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 1.68 111.463 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -119.44 118.01 29.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 3.43 110.892 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -103.45 151.2 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 3.79 110.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -82.66 140.56 33.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.89 0.376 . . . . 2.52 110.642 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 123' ' ' TRP . 7.4 mt -103.73 -75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 2.47 111.618 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -159.52 159.17 33.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.626 -0.261 . . . . 2.41 111.389 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HD2' HG12 ' A' ' 68' ' ' VAL . 3.2 p90 -122.55 159.44 27.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 1.57 110.301 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -152.61 169.1 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 1.29 111.127 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -110.49 150.86 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 3.19 110.506 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -99.74 147.84 25.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.68 111.05 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -85.72 156.0 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 5.75 110.712 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.9 -176.71 31.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.214 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.465 ' H ' ' HB3' ' A' ' 244' ' ' TRP . 69.6 m -93.49 -34.91 13.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 4.29 111.156 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' H ' ' HB2' ' A' ' 244' ' ' TRP . 8.0 mp -109.61 140.33 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 5.2 110.739 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -117.55 79.06 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 5.33 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.34 -37.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.81 -0.709 . . . . 4.18 112.459 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 13.8 pt20 -163.88 158.31 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 4.67 110.819 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.518 ' HA2' ' HD2' ' A' ' 113' ' ' LYS . . . 120.18 83.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 1.95 112.637 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.8 p -87.95 176.26 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.29 . . . . 2.04 110.762 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.37 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 2.64 111.003 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -91.66 164.97 13.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 2.11 110.36 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 113' ' ' LYS . 81.3 p -138.86 104.76 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.506 -0.316 . . . . 1.88 111.094 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.539 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.9 m -88.78 148.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.393 . . . . 2.24 111.217 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 17.2 t70 54.71 32.68 17.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.582 . . . . 2.18 110.564 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 59.18 23.62 11.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 3.37 110.803 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 46.5 mmtm -111.81 129.0 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 3.86 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.518 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 25.5 ttpp -108.32 147.84 30.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.4 . . . . 2.57 110.55 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.59 174.0 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.18 110.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -81.55 -53.34 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 1.72 111.051 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.99 173.03 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 1.55 110.832 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 132.36 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 2.4 111.772 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.5 mt -87.7 148.15 24.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 2.07 110.119 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 3.8 t-160 -119.5 95.52 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 1.71 111.011 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.57 123.03 47.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 2.51 110.945 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 142' ' ' VAL . 27.7 t -99.78 147.67 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.391 . . . . 1.83 111.021 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -124.21 137.22 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 2.43 111.008 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.463 ' HB3' HD11 ' A' ' 91' ' ' ILE . 5.6 p-90 -116.75 145.4 43.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 3.95 110.7 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -81.02 131.53 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 2.19 111.06 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 t -80.5 -15.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.77 110.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.7 -34.07 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.93 -0.577 . . . . 3.65 110.785 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -85.91 -29.84 23.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 4.38 110.718 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.11 -0.87 7.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.979 -0.629 . . . . 2.22 113.181 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.8 145.02 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 3.07 111.246 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -81.64 -30.65 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 3.08 110.651 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.29 65.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 2.36 112.175 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -86.54 -21.23 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.955 0.407 . . . . 3.63 110.412 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.46 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -76.42 -50.09 15.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 1.73 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.7 -23.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 2.3 111.337 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -78.17 -28.76 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 3.84 111.065 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.39 147.58 33.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 3.22 110.818 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.78 -13.01 34.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.485 2.124 . . . . 2.44 112.033 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.13 13.76 13.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.536 . . . . 2.64 110.825 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -52.03 -60.15 7.94 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.015 -0.612 . . . . 1.49 112.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -139.39 146.5 40.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.788 0.328 . . . . 1.76 110.753 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -115.68 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.98 111.037 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 121' ' ' VAL . 59.1 t -91.8 131.54 38.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.158 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD12 ' HB ' ' A' ' 209' ' ' ILE . 64.9 tp -108.15 139.25 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.1 110.827 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -107.72 112.15 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 1.4 112.406 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 48.2 mm -99.08 142.68 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.77 0.319 . . . . 1.53 111.156 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -111.19 165.19 12.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 4.48 111.054 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.97 140.93 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 3.25 110.852 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.41 139.1 40.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 4.32 110.997 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.37 141.81 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 3.13 110.912 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.26 -176.32 20.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 3.15 112.376 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.6 t 57.03 73.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 3.85 110.774 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.8 163.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 3.82 111.68 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.5 117.21 45.03 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 5.19 110.929 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.82 -22.51 20.1 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.288 1.992 . . . . 3.09 112.356 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 149.69 59.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.669 -0.777 . . . . 2.71 112.684 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.95 17.66 15.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 3.94 110.651 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.81 -25.91 61.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.929 -0.578 . . . . 3.55 111.16 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -63.19 -34.94 78.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 4.82 110.747 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.27 -26.33 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 3.12 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 224' ' ' LYS . 90.4 t -56.71 -32.05 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.044 -0.525 . . . . 3.14 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.61 -25.75 41.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 3.01 110.232 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.24 -19.23 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.691 -0.686 . . . . 2.46 110.946 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.15 -35.89 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 2.31 111.076 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.03 -12.68 12.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.01 -0.541 . . . . 2.42 110.866 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 37.3 t -65.2 -24.27 67.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 1.85 111.229 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -134.8 42.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 2.44 111.348 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.481 ' HA ' ' HG ' ' A' ' 228' ' ' LEU . 60.8 pttt -59.88 -34.31 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.338 -0.392 . . . . 3.75 111.055 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 167' ' ' LYS . 70.0 p -92.24 157.2 16.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 2.36 111.041 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.4 OUTLIER -79.31 142.54 36.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.112 -0.495 . . . . 3.46 110.869 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 108.26 -15.33 36.1 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.9 -0.666 . . . . 2.2 111.92 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 166' ' ' ILE . 35.8 mmtp -87.86 177.23 7.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 3.33 111.017 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.7 p -150.72 162.8 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.27 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -158.9 137.24 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 1.89 111.088 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.59 143.93 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 3.74 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -138.16 155.9 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 4.47 111.057 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 55' ' ' THR . 6.0 t -133.97 167.21 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 4.59 110.893 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 59.54 56.56 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 6.35 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -95.85 109.28 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 4.67 110.46 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -145.71 81.87 9.77 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 3.92 111.297 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -77.62 -29.71 4.42 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.547 2.164 . . . . 4.59 112.3 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ARG . . . . . 0.511 ' HD3' HD12 ' A' ' 184' ' ' LEU . 30.5 mmt180 -82.24 -6.95 59.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 8.64 110.635 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.36 -22.61 45.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.829 -0.7 . . . . 3.43 112.727 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 183' ' ' LEU . 3.8 mm? -97.98 -16.16 19.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.709 0.29 . . . . 5.71 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.511 HD12 ' HD3' ' A' ' 181' ' ' ARG . 39.3 mt -97.41 137.26 21.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.325 -0.398 . . . . 4.53 111.076 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 148.35 29.75 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.469 2.112 . . . . 3.71 112.281 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.89 -8.65 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 6.38 111.013 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 40.3 t -95.35 101.21 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.07 110.81 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.0 pp -163.81 158.44 20.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 4.32 111.204 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.99 177.38 4.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 3.78 110.558 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 211' ' ' LEU . 43.3 p90 -169.84 145.76 3.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.847 0.355 . . . . 3.36 111.123 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -88.91 161.96 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.563 -0.532 . . . . 4.16 109.563 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.699 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -137.88 132.04 31.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 1.5 111.907 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.24 74.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.63 . . . . 2.91 110.146 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.647 ' HA ' ' H ' ' A' ' 208' ' ' TRP . 71.4 Cg_exo -49.79 142.02 26.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.858 2.372 . . . . 1.48 112.866 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.538 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -90.42 14.12 63.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.83 -0.7 . . . . 1.64 112.155 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 197' ' ' LEU . 67.6 m -113.87 -174.0 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.378 -0.23 . . . . 2.75 110.378 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 196' ' ' SER . 35.5 tp 73.97 -66.72 0.29 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.408 0.442 . . . . 5.98 111.51 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 10.1 m -64.65 -12.93 51.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 5.3 110.764 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 29.9 p -92.26 162.41 30.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 4.96 111.149 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 86.2 Cg_exo -45.07 159.91 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.612 2.208 . . . . 5.64 112.483 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 8.2 Cg_exo -72.54 28.71 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.851 2.367 . . . . 6.0 113.065 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 69.8 mt -108.22 -53.93 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 5.41 110.859 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' A' ' 22' ' ' ILE . 28.8 tp -107.08 111.29 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 5.02 110.645 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.32 21.74 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 3.98 110.913 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 26.0 p -114.46 20.9 15.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 2.48 110.87 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 10.6 t -127.37 110.43 22.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.442 . . . . 1.8 111.267 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.538 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 8.9 t -113.02 147.49 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 1.27 110.564 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' TRP . . . . . 0.647 ' H ' ' HA ' ' A' ' 194' ' ' PRO . 16.5 t-105 -111.08 108.21 17.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 2.43 111.029 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.479 ' HB ' HD12 ' A' ' 143' ' ' LEU . 6.8 mm -105.89 153.19 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.634 . . . . 1.45 110.506 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 15.9 m -142.18 131.44 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.954 0.407 . . . . 2.12 111.479 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 190' ' ' TYR . 13.3 mt -85.61 158.43 20.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 3.85 110.935 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -88.51 -38.33 15.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 5.85 111.225 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -118.96 83.0 22.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 5.91 111.001 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.25 171.13 17.51 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.557 2.171 . . . . 3.58 112.352 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 16.5 tt -75.84 141.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 4.42 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 72.6 p -101.87 127.93 48.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.502 . . . . 3.53 111.069 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 12.5 p -109.4 143.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 2.45 110.864 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.4 t -77.59 148.14 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 3.39 111.083 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.4 p -66.45 -14.52 62.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 2.82 110.609 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -86.1 -24.98 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 4.51 110.783 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.79 -32.56 71.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.191 -0.459 . . . . 3.92 111.462 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.45 ' HA ' ' HD1' ' A' ' 225' ' ' PHE . 34.6 m -74.19 -8.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 2.44 111.05 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.81 -24.62 48.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.8 110.647 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 160' ' ' VAL . 3.2 mptp? -76.56 -33.6 58.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 3.78 110.717 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 225' ' ' PHE . . . . . 0.45 ' HD1' ' HA ' ' A' ' 222' ' ' VAL . 96.9 m-85 -69.28 -24.0 63.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 3.33 111.03 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 81.8 mtp180 -70.61 -18.28 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 4.82 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -71.37 -18.0 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 3.25 110.97 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.481 ' HG ' ' HA ' ' A' ' 167' ' ' LYS . 7.9 mp -78.99 162.03 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 2.93 110.929 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 229' ' ' ASN . . . . . 0.428 ' O ' ' HE3' ' A' ' 169' ' ' LYS . 13.2 m120 -90.4 179.23 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 2.92 111.491 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -91.54 -9.64 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 5.3 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 169' ' ' LYS . 7.3 t30 -167.2 -16.16 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.79 0.329 . . . . 4.3 111.109 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 143.46 -168.83 26.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 4.09 112.638 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.4 OUTLIER -60.22 157.09 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 7.57 110.86 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 71.79 15.3 75.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.769 -0.729 . . . . 6.31 112.308 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 236' ' ' PRO . 9.3 mm-40 -116.44 137.16 23.35 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.385 0.136 . . . . 5.7 110.851 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 236' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 235' ' ' GLU . 36.0 Cg_exo -58.52 146.91 89.06 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.475 2.117 . . . . 6.54 112.07 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.02 92.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 6.78 110.966 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -136.85 138.09 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 5.03 110.726 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.64 125.9 25.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 5.11 110.95 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.522 ' HG3' HG22 ' A' ' 241' ' ' VAL . 25.4 ptp -61.36 -34.82 75.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 5.21 110.619 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 240' ' ' MET . 27.8 m -145.54 175.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.637 -0.71 . . . . 3.44 111.033 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -135.7 -167.99 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 3.67 110.535 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -131.28 53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 3.74 111.073 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 244' ' ' TRP . . . . . 0.5 ' HB2' ' H ' ' A' ' 100' ' ' LEU . 67.4 t-105 -121.89 115.91 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 3.25 110.985 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.595 ' HA ' ' HE ' ' A' ' 245' ' ' ARG . 1.6 mmp_? -135.68 150.38 71.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 3.78 110.591 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.582 ' HB2' ' HG2' ' A' ' 30' ' ' PRO . 34.8 Cg_exo -57.62 164.82 6.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.523 2.148 . . . . 2.43 112.239 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.38 38.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 3.18 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.21 120.96 66.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 5.35 110.462 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 251' ' ' LYS . 31.8 Cg_exo -58.43 123.89 14.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.252 1.968 . . . . 4.02 112.116 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 18.7 tp -79.8 -8.78 59.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 3.94 110.559 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 249' ' ' PRO . 44.6 mmtm 58.59 17.49 5.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 6.83 111.047 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.17 150.02 48.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.29 -0.414 . . . . 5.02 110.488 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 253' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 253' ' ' ARG . 5.9 mpt_? -111.16 2.92 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 5.82 111.554 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.01 117.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 3.22 111.206 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 5.7 tp -116.61 124.39 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 2.02 110.861 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.41 141.05 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 2.91 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.699 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.5 170.94 15.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 1.46 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 192' ' ' THR . 29.8 t -102.28 -2.06 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 2.32 110.255 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.41 ' C ' ' HB3' ' A' ' 40' ' ' TYR . 73.1 t80 -111.77 148.23 33.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 3.3 110.595 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.037 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.455 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.858 0.361 . . . . 32.91 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -83.76 97.5 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 30.03 110.926 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -134.75 98.22 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 29.61 110.776 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -90.84 146.07 24.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 26.81 110.914 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -127.24 134.84 50.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 25.62 110.853 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.77 12.35 6.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 23.39 112.756 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -96.36 175.84 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 23.38 111.152 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.14 70.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.855 -0.688 . . . . 19.99 112.4 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -81.63 -36.32 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 19.34 111.064 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -84.17 4.09 32.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 18.14 110.989 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -99.39 -13.44 19.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 18.74 110.655 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.86 69.38 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.847 -0.692 . . . . 16.42 112.288 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.18 134.96 67.41 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.566 2.177 . . . . 15.7 112.417 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -111.84 -63.69 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 15.32 110.619 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 55.44 92.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 15.63 111.501 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -77.11 -29.89 55.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 11.72 110.736 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 18.2 p80 -74.86 -13.78 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 12.77 110.64 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -84.21 -19.98 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 15.94 110.645 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -117.11 -62.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 12.96 110.983 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.17 124.32 66.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 10.55 110.711 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 10.2 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.19 1.927 . . . . 9.69 111.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.0 mt -81.21 -32.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 8.17 110.73 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.98 -31.34 19.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.966 -0.561 . . . . 9.4 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 26.8 tptp -74.19 -17.93 60.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 13.28 111.325 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.75 -26.74 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.45 -0.881 . . . . 8.88 112.823 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 56.73 82.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 8.92 110.642 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -120.26 18.73 12.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 9.6 110.598 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.96 14.76 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 6.33 111.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -152.75 155.25 32.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 3.57 111.147 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.97 132.78 51.59 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.661 2.241 . . . . 2.88 112.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 249' ' ' PRO . 75.7 t -141.41 152.43 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 2.26 110.699 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 3.2 m-20 -76.41 98.49 4.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.349 . . . . 2.44 110.442 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 255' ' ' ILE . 2.7 mp -91.06 147.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.338 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 37' ' ' THR . 9.0 m-20 -109.95 129.36 55.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 1.51 111.076 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -72.81 -17.8 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 1.95 110.734 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -74.17 -40.95 62.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.798 -0.637 . . . . 3.43 111.061 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 34' ' ' ASP . 14.9 t -75.23 -5.37 44.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 1.73 111.033 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 157.63 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 1.29 111.221 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -122.66 149.64 43.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 3.53 110.644 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 260' ' ' LYS . 10.2 p90 -81.03 114.21 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 4.17 111.217 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.16 90.92 45.89 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 3.04 110.836 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.02 53.7 4.69 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.55 2.167 . . . . 2.3 112.626 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -87.22 -41.95 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 3.07 110.683 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.7 mm? -91.57 94.23 9.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 3.08 110.621 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.9 147.68 33.78 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 4.28 111.024 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 125.78 9.37 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.266 1.978 . . . . 2.41 111.778 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 tp -124.28 -62.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 5.24 110.946 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.503 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 55.1 m -135.82 139.82 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 2.67 111.061 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.75 124.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 2.44 111.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 m -113.37 142.65 45.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 2.58 110.814 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -177.7 37.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 4.87 111.002 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -92.64 -43.94 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 4.17 110.819 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -89.68 -4.85 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 4.62 110.755 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.08 120.66 5.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.277 -0.42 . . . . 1.97 110.791 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.578 HG23 ' H ' ' A' ' 178' ' ' PHE . 85.7 m -157.5 145.44 18.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 1.9 111.68 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -92.64 150.79 20.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.85 -0.614 . . . . 1.87 110.157 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 tp -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 3.58 111.794 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' ILE . 42.1 ttp180 -159.5 157.69 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.421 . . . . 4.62 111.754 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 14.2 tt -131.01 126.75 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.782 -0.644 . . . . 1.72 110.418 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 172' ' ' SER . 43.3 tp -112.87 148.12 35.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 2.58 111.01 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -109.05 155.1 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.94 110.776 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.56 23.89 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.739 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 78.28 14.63 82.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.453 -0.88 . . . . 2.64 112.608 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -178.77 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 4.34 110.752 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.68 125.3 50.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 2.12 110.621 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HD2' HD11 ' A' ' 59' ' ' ILE . 45.7 p90 -123.21 139.66 53.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.733 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -131.67 152.47 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.782 -0.645 . . . . 2.57 109.786 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -92.17 138.02 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.616 0.246 . . . . 1.95 110.987 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 9.9 pt-20 -119.14 143.75 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 3.84 111.453 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.85 172.21 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 4.12 110.882 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 20.9 t70 -59.99 120.57 9.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 3.04 110.753 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.31 -14.96 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 3.88 110.945 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.3 t -71.51 -11.45 60.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 3.2 111.146 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -154.66 153.69 31.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.313 -0.403 . . . . 4.06 110.817 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.09 118.58 18.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 2.84 110.857 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 70.7 mmtt -91.09 -82.4 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.26 111.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -115.21 123.35 48.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 1.42 111.71 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.36 165.04 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 1.72 110.658 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 5.4 mp -129.91 155.72 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 2.3 110.822 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 62.7 mttp -145.69 143.39 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.702 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.637 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . -99.02 -176.24 31.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.678 -0.772 . . . . 2.5 112.564 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.69 -87.54 0.34 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.607 -0.806 . . . . 2.63 112.75 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.25 -60.47 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.6 2.2 . . . . 4.13 112.686 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 ' HA3' ' A' ' 81' ' ' GLY . 2.0 pt? -63.65 145.85 54.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 3.0 110.951 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.57 13.14 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 5.04 110.593 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.77 132.12 21.84 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.836 -0.697 . . . . 1.92 112.49 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.8 m -108.73 126.43 52.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 1.68 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 83.0 m-85 -86.43 122.73 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 3.43 110.625 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -96.15 153.49 17.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 3.79 110.716 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.9 tt -118.78 128.93 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.929 -0.397 . . . . 2.52 109.929 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -119.5 -69.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.193 0.442 . . . . 2.47 112.193 -179.279 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.604 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 61.7 mt-30 -139.43 162.96 33.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.83 0.348 . . . . 2.41 111.617 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -155.05 161.64 41.27 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.188 -0.46 . . . . 1.57 110.837 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.2 p-80 -147.58 168.27 22.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 1.29 110.49 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 118' ' ' LEU . 13.2 p90 -117.13 147.92 42.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.901 0.382 . . . . 3.19 111.875 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -107.28 165.91 11.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.966 -0.561 . . . . 1.68 110.929 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -147.59 167.29 24.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.29 -0.414 . . . . 5.75 111.107 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.2 156.06 22.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.579 . . . . 3.04 112.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 -18.76 60.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 4.29 111.031 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -96.7 153.31 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 5.2 110.973 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.91 29.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 5.33 110.734 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.47 -46.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.855 -0.688 . . . . 4.18 112.525 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -166.65 157.79 12.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 4.67 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.86 71.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.488 -0.863 . . . . 1.95 113.089 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -126.28 -82.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 2.04 110.802 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 46.3 mt-10 -151.09 -88.28 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.384 -0.371 . . . . 2.64 111.42 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.46 171.89 8.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 2.11 111.356 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 86.8 m -139.56 91.33 2.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 1.88 110.728 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.52 147.81 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 2.24 111.024 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.8 37.66 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 2.18 110.816 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 59.2 24.87 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.931 0.396 . . . . 3.37 111.079 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 108' ' ' THR . 32.6 mmmt -136.15 123.36 21.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 3.86 110.831 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -83.98 144.58 29.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 2.57 110.995 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -70.39 140.93 52.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 2.18 110.529 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.62 -28.84 22.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 1.72 110.773 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.28 136.61 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 1.55 110.114 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -152.45 138.57 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 2.4 111.265 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 HD21 ' A' ' 147' ' ' LEU . 4.4 pp -87.18 147.9 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 2.07 111.289 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -101.38 121.56 42.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.907 -0.588 . . . . 1.71 110.958 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 90.9 mt -102.37 116.57 32.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 2.51 110.879 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.46 121.92 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 1.83 110.824 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -131.64 154.68 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 2.43 110.507 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -165.11 118.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 3.95 110.958 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -55.54 133.4 50.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 2.19 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.2 t -82.1 -14.76 55.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.77 111.434 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 7.6 mtpm? -59.42 -24.83 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 3.65 111.176 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -81.04 -26.78 36.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 4.38 111.246 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.97 -44.78 3.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.643 -0.789 . . . . 2.22 112.614 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.05 149.63 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 3.07 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -63.5 -19.35 64.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 3.08 111.038 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.75 -43.44 96.24 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.592 -0.813 . . . . 2.36 112.402 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.19 -19.82 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 3.63 110.743 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.31 -51.51 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 1.73 110.603 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.31 -7.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 2.3 111.498 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.19 -15.72 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 3.84 110.695 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -140.27 156.03 70.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 3.22 110.713 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.18 -16.95 57.69 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.79 2.327 . . . . 2.44 112.867 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -95.29 10.85 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.704 0.288 . . . . 2.64 111.073 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.01 -76.04 0.2 Allowed Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.949 -0.643 . . . . 1.49 112.723 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -128.1 155.82 43.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.69 0.281 . . . . 1.76 110.873 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.14 34.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.98 111.509 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.3 t -127.32 107.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.258 -0.428 . . . . 1.3 110.979 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.586 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 10.4 mp -86.13 144.27 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 2.1 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.2 123.5 4.22 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.694 -0.765 . . . . 1.4 112.843 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.2 mt -110.86 136.15 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.694 0.283 . . . . 1.53 110.735 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.623 ' H ' ' HG2' ' A' ' 214' ' ' PRO . 40.8 t80 -76.4 145.09 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.431 -0.35 . . . . 4.48 110.986 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 118' ' ' LEU . 89.0 mt -132.82 124.16 27.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 3.25 110.891 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' ' 215' ' ' ILE . 28.1 ttpp -146.43 144.47 29.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.786 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.61 121.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 3.13 111.187 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.83 -94.62 0.48 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.81 -0.71 . . . . 3.15 112.403 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.4 p -93.02 171.54 8.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 3.85 110.892 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -70.48 -164.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 3.82 111.198 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -72.73 113.12 18.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 5.19 111.066 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.25 -17.18 17.09 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.29 1.993 . . . . 3.09 112.083 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.93 59.07 0.01 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.829 -0.701 . . . . 2.71 112.726 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.86 34.43 5.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 3.94 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 160' ' ' VAL . 45.9 mt-30 -55.78 -36.71 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 3.55 111.065 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 158' ' ' LYS . 1.0 OUTLIER -68.45 -24.31 64.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 4.82 111.074 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.8 -36.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 3.12 111.307 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.506 ' HA ' HD22 ' A' ' 163' ' ' LEU . 28.3 m -80.89 -18.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.14 111.05 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.38 -37.24 20.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 3.01 111.071 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.81 -44.05 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 2.46 111.907 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 228' ' ' LEU . 0.2 OUTLIER -75.17 -21.06 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.31 110.763 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.456 ' N ' HD23 ' A' ' 163' ' ' LEU . 13.9 t70 -58.81 -17.61 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.919 -0.582 . . . . 2.42 109.867 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 56.3 m -94.13 -29.71 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 1.85 110.895 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.586 HG12 ' HA ' ' A' ' 163' ' ' LEU . 0.3 OUTLIER -91.63 50.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 2.44 110.816 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.73 -40.28 62.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.044 -0.525 . . . . 3.75 110.599 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.9 p -114.98 137.71 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.675 -0.693 . . . . 2.36 110.66 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 63' ' ' GLY . 1.2 mptm? -60.48 147.77 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 3.46 111.094 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.3 -6.8 26.76 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.668 -0.696 . . . . 2.2 112.134 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.475 ' HB2' HG23 ' A' ' 166' ' ' ILE . 99.7 mttt -109.19 177.14 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 3.33 110.93 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.512 ' HB3' HD12 ' A' ' 60' ' ' LEU . 67.7 p -151.32 168.71 23.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 2.27 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -161.39 142.73 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.89 110.819 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.56 136.39 33.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 3.74 111.219 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -149.31 142.21 24.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 4.47 110.45 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.1 t -129.41 176.69 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.36 -0.382 . . . . 4.59 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 60.37 56.79 3.07 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.929 0.395 . . . . 6.35 110.869 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' PHE . . . . . 0.578 ' H ' HG23 ' A' ' 55' ' ' THR . 73.4 t80 -81.84 147.48 29.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 4.67 110.836 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.76 113.67 23.48 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 3.92 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.08 -21.22 12.31 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.337 2.025 . . . . 4.59 112.207 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 74.7 mtp180 -71.77 -11.23 60.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.652 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -58.81 -29.33 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 3.43 112.261 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.2 pp -117.07 12.08 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 5.71 111.128 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 41.6 tp -57.82 119.23 32.03 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.224 -0.444 . . . . 4.53 111.02 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 184' ' ' LEU . 48.6 Cg_endo -68.88 131.14 21.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.187 1.925 . . . . 3.71 111.964 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.5 -24.13 39.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 6.38 111.291 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 46.7 t -142.49 166.93 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.352 . . . . 5.07 111.019 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 93.1 mt -107.64 31.52 5.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.32 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 212' ' ' LYS . 5.3 m-20 -136.13 147.76 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 3.78 110.242 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -170.0 171.66 6.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 3.36 111.225 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.458 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -107.41 174.42 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 4.16 109.969 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.9 t -151.62 137.03 17.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.13 0.419 . . . . 1.5 112.13 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -132.4 78.64 67.47 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 2.91 110.306 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 130.08 34.86 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.794 2.329 . . . . 1.48 112.731 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 204' ' ' GLU . . . -127.31 -172.72 13.31 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.899 -0.667 . . . . 1.64 112.334 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 12.4 m -129.34 -175.29 3.53 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.532 0.206 . . . . 2.75 110.838 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.62 160.92 3.96 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.871 0.367 . . . . 5.98 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 6.0 t -70.6 -5.36 28.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 5.3 110.926 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.595 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 27.3 p -103.77 168.94 7.93 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 4.96 110.069 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 71.6 Cg_exo -40.64 162.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.28 1.986 . . . . 5.64 112.361 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -32.32 96.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.246 2.63 . . . . 6.0 113.207 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 202' ' ' LEU . 0.2 OUTLIER -109.7 -61.68 1.61 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.056 -0.52 . . . . 5.41 111.004 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 204' ' ' GLU . 0.8 OUTLIER -176.41 137.97 0.3 Allowed 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.895 0.379 . . . . 5.02 111.079 -179.668 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.429 ' N ' HD23 ' A' ' 203' ' ' LEU . 11.6 pt-20 -84.01 30.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.213 0.53 . . . . 3.98 109.922 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 49.6 t -57.22 -17.66 12.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 2.48 111.555 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.48 136.04 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 1.8 111.412 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 54.9 m -113.16 146.17 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.284 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -113.71 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 2.43 110.706 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.586 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 4.4 mp -114.22 135.71 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 1.45 110.729 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.99 117.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 2.12 111.036 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.5 ' HB2' ' HG3' ' A' ' 214' ' ' PRO . 7.8 mp -62.78 171.42 2.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.244 -0.434 . . . . 3.85 110.744 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 61.8 mtpt -58.64 -55.59 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 5.85 111.194 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.85 70.9 1.26 Allowed Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.294 -0.412 . . . . 5.91 111.307 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' PRO . . . . . 0.623 ' HG2' ' H ' ' A' ' 146' ' ' PHE . 90.0 Cg_endo -83.07 152.29 14.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.713 2.275 . . . . 3.58 112.481 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.427 HD12 ' HE3' ' A' ' 148' ' ' LYS . 6.0 tt -162.85 111.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 4.42 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 41.4 m -137.55 102.22 4.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.349 -0.387 . . . . 3.53 111.081 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.71 137.67 15.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.342 -0.39 . . . . 2.45 110.877 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 222' ' ' VAL . 35.9 m -115.49 151.09 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 3.39 110.697 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.6 m -72.77 -13.45 61.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 2.82 111.095 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -83.2 -45.01 14.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 4.51 111.276 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -66.04 -25.33 67.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 3.92 110.498 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 218' ' ' SER . 77.3 t -83.22 -30.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 2.44 110.72 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.59 -43.56 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 2.8 110.454 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.06 -17.29 37.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 3.78 110.743 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.11 -35.69 79.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 3.33 110.542 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.09 -30.44 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 4.82 110.795 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.39 -23.83 62.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 3.25 111.035 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 163' ' ' LEU . 91.4 mt -81.7 162.16 23.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 2.93 111.316 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -130.32 158.49 39.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.966 -0.561 . . . . 2.92 110.962 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -54.32 -47.4 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 5.3 110.652 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.55 145.49 46.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 4.3 110.81 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -71.14 -166.25 6.91 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.797 -0.716 . . . . 4.09 112.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 157.43 2.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.11 0.481 . . . . 7.57 111.768 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.74 53.02 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.704 -0.68 . . . . 6.31 112.366 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -142.41 154.34 63.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.327 0.108 . . . . 5.7 110.731 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.84 162.53 3.68 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.607 2.204 . . . . 6.54 112.396 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.66 136.44 56.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 6.78 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -140.93 155.81 46.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 5.03 111.028 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 241' ' ' VAL . 75.0 mt -95.89 134.4 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 5.11 110.741 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.95 -12.64 56.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 5.21 111.04 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 239' ' ' LEU . 34.1 m -86.05 -171.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 3.44 111.086 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.4 t70 71.61 44.48 0.51 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.141 0.496 . . . . 3.67 110.365 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -134.52 55.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 3.74 111.098 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -101.97 172.91 6.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 3.25 111.144 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.446 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 98.0 mtt180 -133.23 107.42 12.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 3.78 110.73 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.84 147.78 13.7 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.647 2.232 . . . . 2.43 112.774 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -130.46 136.07 48.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.984 -0.553 . . . . 3.18 110.997 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -137.79 133.6 17.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 5.35 110.819 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 31' ' ' VAL . 83.9 Cg_endo -81.48 124.89 4.85 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.514 2.143 . . . . 4.02 112.634 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.2 mm? -78.61 -48.89 14.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 3.94 110.455 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -143.36 -64.38 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 6.83 110.538 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -175.64 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 5.02 110.255 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 62.55 149.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 5.82 111.71 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -102.15 135.31 43.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 3.22 110.548 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 33' ' ' ILE . 6.5 tt -112.04 116.01 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 2.02 111.702 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.16 163.48 22.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.325 -0.62 . . . . 2.91 109.325 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.55 146.25 8.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.472 -0.491 . . . . 1.46 112.164 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.2 t -74.52 -19.11 60.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.566 -0.743 . . . . 2.32 109.246 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 90.6 t80 -111.73 141.0 45.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.205 -0.907 . . . . 3.3 110.134 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 260' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 93.9 mttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.124 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.434 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.85 0.357 . . . . 32.91 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -149.34 154.72 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 30.03 111.044 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -128.45 134.82 48.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 29.61 110.665 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t60 55.86 86.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 26.81 110.958 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -132.09 151.58 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 25.62 110.664 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.88 53.81 0.2 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.875 -0.678 . . . . 23.39 112.473 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -77.39 169.91 17.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.741 0.305 . . . . 23.38 110.809 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.83 31.93 8.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.844 -0.693 . . . . 19.99 112.4 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -75.36 -19.51 59.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 19.34 111.035 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -69.63 -30.09 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 18.14 110.954 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -85.81 25.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 18.74 110.94 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.05 69.36 0.06 OUTLIER Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.919 -0.658 . . . . 16.42 112.446 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.69 80.05 2.89 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.579 2.186 . . . . 15.7 112.32 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -125.44 42.61 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 15.32 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -89.06 109.54 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 15.63 110.922 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -82.81 -22.83 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 11.72 110.992 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 3.3 p-80 -77.19 -7.5 55.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.413 -0.358 . . . . 12.77 111.236 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -80.57 -19.84 44.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 15.94 111.081 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.32 -60.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 12.96 110.991 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -102.74 149.94 37.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 10.55 110.874 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' HB3' ' A' ' 24' ' ' LYS . 90.8 Cg_endo -82.91 22.51 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.688 2.259 . . . . 9.69 112.732 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.37 -56.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 8.17 110.708 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 201' ' ' PRO . . . -87.89 -24.3 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.732 -0.667 . . . . 9.4 110.745 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 27.4 tptp -70.67 -17.19 62.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 13.28 110.584 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.48 113.91 2.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.852 -0.69 . . . . 8.88 112.442 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -111.55 120.72 43.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.819 0.342 . . . . 8.92 110.943 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -142.25 28.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.258 0.552 . . . . 9.6 110.354 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -57.58 129.59 42.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.66 . . . . 6.33 111.211 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -166.41 77.14 1.13 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 3.57 110.897 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 127.79 16.0 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.561 2.174 . . . . 2.88 112.452 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -144.34 145.88 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 2.26 111.354 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' N ' ' HB1' ' A' ' 247' ' ' ALA . 27.1 m-20 -61.7 115.04 3.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.515 . . . . 2.44 110.66 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 6.9 mm -50.13 128.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 1.53 111.382 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.51 111.156 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.6 m -80.31 -40.5 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.626 . . . . 1.95 110.922 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.48 -35.23 80.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 3.43 111.016 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 m -75.54 -22.7 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 1.73 110.814 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.59 155.83 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 1.29 111.034 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -123.9 142.34 51.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 3.53 111.084 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -66.5 133.6 50.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 4.17 110.818 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 258' ' ' SER . 16.7 t70 -125.68 90.98 49.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 3.04 111.113 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.24 20.86 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.668 2.246 . . . . 2.3 112.443 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -62.18 -45.7 92.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 3.07 111.073 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' A' ' 82' ' ' GLY . 3.2 mm? -80.34 151.94 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 3.08 110.847 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -108.28 141.43 23.2 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.345 -0.389 . . . . 4.28 110.839 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.67 125.62 18.84 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.27 1.98 . . . . 2.41 111.853 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.537 ' HB2' ' HA2' ' A' ' 81' ' ' GLY . 5.5 tp -130.87 -168.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 5.24 111.056 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.548 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 56.8 m -64.5 151.7 43.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 2.67 111.494 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.98 116.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 2.44 111.182 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m -113.7 146.01 40.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 2.58 110.813 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -174.32 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 4.87 111.194 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -64.35 -15.96 61.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 4.17 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -95.89 -10.9 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 4.62 111.06 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -54.64 126.31 23.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 1.97 111.521 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 m -112.63 139.35 48.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.9 111.163 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -95.94 162.46 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 1.87 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.2 tp -111.86 -38.83 4.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 3.58 111.428 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -172.98 156.64 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 4.62 110.904 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 68' ' ' VAL . 71.5 mt -132.66 112.01 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 1.72 110.665 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 tp -112.91 140.56 47.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 2.58 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.4 m-20 -112.46 149.03 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.896 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -106.62 21.65 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 3.13 110.635 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.82 -25.6 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.835 -0.697 . . . . 2.64 112.401 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -112.79 -57.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 4.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.14 153.55 49.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 2.12 110.77 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 47.6 p90 -137.28 164.11 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 3.39 111.398 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -133.06 152.57 51.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.809 -0.632 . . . . 2.57 110.742 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -108.08 107.12 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 1.95 110.866 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.38 140.79 29.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 3.84 111.403 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -116.63 177.37 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 4.12 110.404 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.38 134.98 39.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 3.04 110.827 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -101.33 -24.43 14.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.209 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -70.07 -15.7 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 3.2 111.038 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -157.12 145.99 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 4.06 111.013 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.35 94.31 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.84 110.653 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 44.4 mmtm -58.22 -62.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 3.26 111.347 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . . . -90.78 142.7 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 1.42 111.307 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 50' ' ' SER . 18.4 m -143.67 159.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 1.72 110.855 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 94.3 mt -131.69 117.89 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 2.3 111.105 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 90.8 mttt -131.49 153.6 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 2.67 110.519 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.537 ' HA2' ' HB2' ' A' ' 47' ' ' LEU . . . 160.89 112.18 0.29 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.788 . . . . 2.5 112.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 44' ' ' LEU . . . 122.44 175.72 14.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.636 -0.792 . . . . 2.63 112.462 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.77 -6.34 18.48 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.4 2.067 . . . . 4.13 112.014 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.28 156.56 15.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.873 -0.603 . . . . 3.0 111.099 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.7 22.51 15.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 5.04 110.605 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.78 149.72 17.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.909 -0.662 . . . . 1.92 112.503 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.415 ' OG1' ' HE2' ' A' ' 80' ' ' LYS . 97.9 m -126.15 133.15 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 1.68 111.285 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 84.2 m-85 -87.05 125.56 34.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 3.43 110.502 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -102.5 147.64 26.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 3.79 111.234 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.3 mp -97.95 139.08 34.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 2.52 110.682 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -118.28 -59.05 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 2.47 111.762 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' H ' HG12 ' A' ' 91' ' ' ILE . 23.1 pt20 -159.35 160.0 34.52 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.871 0.322 . . . . 2.41 111.871 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 30.7 p90 -137.19 160.01 40.24 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.122 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.44 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 13.2 p-80 -132.42 167.9 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 1.29 111.723 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -117.85 145.56 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 3.19 110.379 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.44 ' HD1' ' CG ' ' A' ' 243' ' ' ASN . 14.1 m-70 -96.83 129.4 44.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 1.68 111.243 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -134.08 -177.2 4.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.87 -0.605 . . . . 5.75 110.453 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.17 162.02 29.91 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.616 -0.802 . . . . 3.04 112.614 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.1 t -107.79 8.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 4.29 110.771 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' HB2' ' CG ' ' A' ' 242' ' ' ASP . 11.3 mt -113.93 159.92 19.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.934 -0.575 . . . . 5.2 110.452 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.76 105.98 15.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 5.33 111.088 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.12 -69.88 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.894 -0.669 . . . . 4.18 112.056 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -147.91 174.77 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 4.67 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.33 -78.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.773 . . . . 1.95 112.26 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.0 p -106.92 -170.16 1.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 2.04 110.964 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 244' ' ' TRP . 35.7 tt0 -86.63 -73.2 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 2.64 110.752 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -94.89 168.16 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.11 110.366 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 113' ' ' LYS . 77.3 p -135.7 123.94 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 1.88 111.596 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 30.9 m -96.99 141.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 2.24 110.523 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 54.91 34.87 23.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.397 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 60.29 25.25 14.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.574 . . . . 3.37 111.397 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -116.56 129.66 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 3.86 110.935 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 108' ' ' THR . 39.0 ttmt -97.6 155.5 16.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 2.57 111.075 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.467 ' CD1' ' HB2' ' A' ' 148' ' ' LYS . 31.4 m-85 -118.64 173.91 6.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 2.18 110.735 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.94 -47.13 9.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.72 111.289 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.97 171.46 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 1.55 110.41 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.85 131.12 12.01 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 2.4 112.086 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 145' ' ' ILE . 3.9 pp -90.83 148.05 22.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.144 -0.48 . . . . 2.07 109.951 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.44 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -110.7 106.85 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 1.71 111.675 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 143' ' ' LEU . 50.1 tp -89.67 107.99 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 2.51 110.337 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.34 113.09 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 1.83 111.563 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.517 ' HE2' ' HB2' ' A' ' 143' ' ' LEU . 34.8 p80 -131.88 155.02 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 2.43 110.172 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -162.32 141.48 9.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 3.95 111.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LYS . 50.0 t30 -61.34 121.46 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.701 -0.681 . . . . 2.19 110.896 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -80.01 -14.84 58.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 1.77 111.457 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 124' ' ' ASN . 74.9 mmtt -59.16 -18.89 40.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 3.65 110.783 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 64.4 m-85 -79.21 7.5 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 4.38 110.948 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.35 -72.74 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.844 -0.693 . . . . 2.22 112.529 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -136.33 171.89 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 3.07 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -59.95 -22.77 62.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 3.08 110.991 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.46 -53.8 39.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.853 -0.689 . . . . 2.36 112.672 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 127' ' ' TYR . 23.8 tptm -73.36 -20.66 60.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.63 110.808 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.89 -48.12 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.73 111.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 28.0 m -66.64 -2.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 2.3 111.713 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -72.48 -15.14 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 3.84 111.043 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.89 144.5 53.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 3.22 110.646 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.91 -11.15 30.07 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 2.44 111.95 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -111.85 -4.82 14.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 2.64 111.012 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.79 28.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 1.49 112.422 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 132.54 54.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 1.76 110.392 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 144.31 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.98 111.108 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.79 108.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 1.3 111.043 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 9.6 tt -88.13 117.63 27.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 2.1 110.881 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 127.46 8.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.858 -0.686 . . . . 1.4 112.39 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.528 HD12 HD11 ' A' ' 118' ' ' LEU . 62.5 mt -107.02 132.42 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 1.53 110.947 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -85.79 165.69 16.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 4.48 110.867 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.9 mt -140.07 121.08 14.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.983 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 114' ' ' TYR . 88.1 tttt -127.93 153.76 46.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 4.32 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -87.63 152.3 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 3.13 110.629 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 218' ' ' SER . . . 144.88 -179.4 22.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.662 -0.78 . . . . 3.15 112.141 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 m 58.44 84.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.819 0.343 . . . . 3.85 110.334 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 3.82 111.942 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.43 117.53 21.0 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.752 -0.658 . . . . 5.19 111.264 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.22 -18.18 14.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.383 2.055 . . . . 3.09 112.117 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.13 59.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.911 -0.662 . . . . 2.71 112.488 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 159' ' ' VAL . 95.4 mt -135.63 35.53 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 3.94 110.761 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -53.56 -61.86 2.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.839 -0.619 . . . . 3.55 111.326 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.42 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.619 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 156' ' ' LEU . 85.7 t -55.72 -45.72 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.379 . . . . 3.12 111.391 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.426 ' O ' HD22 ' A' ' 163' ' ' LEU . 16.5 m -85.12 -14.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 3.14 111.264 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.8 -19.15 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 111.005 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.97 -17.34 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 2.46 111.814 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 160' ' ' VAL . 1.8 pt? -58.35 -22.3 52.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.741 0.305 . . . . 2.31 111.414 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -55.78 -12.55 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 2.42 110.797 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -12.13 35.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 1.85 110.875 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.2 mp -127.62 50.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.609 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 167' ' ' LYS . 6.9 ttpm? -53.34 -47.74 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 3.75 111.121 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 41.1 p -84.78 160.57 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.413 . . . . 2.36 111.022 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 1.5 tmmt? -80.43 107.56 13.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 3.46 110.863 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.52 8.97 24.14 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.594 -0.812 . . . . 2.2 113.31 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.401 ' HB3' HG23 ' A' ' 166' ' ' ILE . 23.7 ttmm -84.48 156.54 21.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.883 0.342 . . . . 3.33 110.765 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 94.3 p -97.69 165.95 11.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 2.27 110.804 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.66 37.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 1.89 111.254 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.89 157.74 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.968 -0.56 . . . . 3.74 110.865 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -48.34 135.71 13.37 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.045 -0.525 . . . . 4.47 111.175 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.3 t -162.61 -172.4 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 4.59 110.824 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 65.3 t30 57.33 49.41 13.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.972 0.415 . . . . 6.35 110.705 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -92.0 136.92 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 4.67 110.945 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.14 90.92 25.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 3.92 111.023 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.19 -47.48 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.361 2.041 . . . . 4.59 112.252 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.99 -18.09 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 8.64 110.698 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -78.97 26.35 2.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 3.43 112.475 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.98 9.33 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 5.71 111.032 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.2 127.23 90.7 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 4.53 110.757 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.95 131.78 46.29 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.382 2.055 . . . . 3.71 112.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.61 -16.34 54.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 6.38 111.178 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 37.6 t 60.71 175.24 0.1 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.203 -0.453 . . . . 5.07 110.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.14 110.07 22.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.472 -0.331 . . . . 4.32 110.658 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.9 p30 176.89 118.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.905 -0.589 . . . . 3.78 110.264 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 210' ' ' VAL . 45.4 p90 -169.86 161.8 9.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.756 0.313 . . . . 3.36 110.813 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.749 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.5 m-90 -105.37 122.53 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 4.16 110.112 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.458 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -127.54 171.24 11.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 1.5 111.599 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -159.35 130.21 3.73 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 2.91 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.558 ' HA ' HG23 ' A' ' 207' ' ' THR . 73.9 Cg_exo -50.45 127.73 21.27 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.47 2.113 . . . . 1.48 112.491 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.465 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -116.19 37.96 3.22 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.742 -0.742 . . . . 1.64 112.964 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 197' ' ' LEU . 24.0 m -113.63 168.87 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.553 -0.166 . . . . 2.75 110.553 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 196' ' ' SER . 50.9 mt 75.02 -53.61 0.67 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.658 0.598 . . . . 5.98 111.214 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 16.3 m -62.57 -12.51 23.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.461 . . . . 5.3 110.605 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 8.3 t -89.53 146.6 36.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 4.96 111.26 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -43.22 156.97 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.884 2.39 . . . . 5.64 112.731 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 36.0 Cg_exo -59.42 85.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.665 2.244 . . . . 6.0 112.621 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.83 -51.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 5.41 110.779 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 203' ' ' LEU . 2.3 pt? -168.31 164.88 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 5.02 111.183 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -124.93 20.96 8.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 3.98 110.36 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 80.0 m -100.55 29.39 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 2.48 110.58 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.74 112.46 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.783 -0.644 . . . . 1.8 110.88 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.6 m -112.49 145.33 40.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.45 -0.341 . . . . 1.27 110.796 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -95.74 108.35 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 2.43 110.702 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.63 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.9 mp -108.77 142.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.45 110.944 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 26.2 t -138.03 116.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 2.12 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.86 155.7 15.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.382 -0.372 . . . . 3.85 110.71 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -48.06 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 5.85 110.677 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.99 88.76 8.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 5.91 110.814 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.92 153.93 71.79 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.516 2.144 . . . . 3.58 112.515 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.07 142.56 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 4.42 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -136.75 155.3 50.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 3.53 111.519 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.36 169.39 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.818 -0.628 . . . . 2.45 110.771 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 46.9 t -107.09 154.14 21.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.5 -0.318 . . . . 3.39 110.854 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 54.2 m -55.61 -22.0 20.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 2.82 110.818 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -85.5 -32.81 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 4.51 110.604 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.55 -32.43 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 3.92 110.419 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.93 -26.75 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.614 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.596 HD12 ' HD3' ' A' ' 226' ' ' ARG . 48.0 tp -56.28 -34.46 66.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 2.8 110.477 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.87 -28.92 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 3.78 110.381 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.58 -25.9 62.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 3.33 110.707 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.596 ' HD3' HD12 ' A' ' 223' ' ' LEU . 42.6 mtp180 -60.35 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 4.82 110.486 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.69 -26.15 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 3.25 110.409 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.84 162.19 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 2.93 110.789 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -131.9 156.94 45.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 2.92 111.204 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.418 ' HB2' ' HG2' ' A' ' 240' ' ' MET . 41.1 t80 -97.93 3.36 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.76 -0.655 . . . . 5.3 110.598 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' ' 169' ' ' LYS . 8.5 p30 -140.69 12.88 2.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 4.3 111.373 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 108.83 149.64 13.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 4.09 112.541 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -65.24 156.16 32.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.377 . . . . 7.57 110.984 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.31 44.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.878 -0.677 . . . . 6.31 112.671 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -138.72 102.09 7.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 110.689 -0.115 . . . . 5.7 110.689 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.47 164.48 16.61 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.43 2.086 . . . . 6.54 112.647 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.73 93.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.035 -0.53 . . . . 6.78 110.898 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 238' ' ' GLU . . . . . 0.441 ' HG2' ' ND2' ' A' ' 231' ' ' ASN . 9.3 tp10 -158.47 116.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 5.03 110.676 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.79 147.02 24.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.445 . . . . 5.11 110.524 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.418 ' HG2' ' HB2' ' A' ' 230' ' ' PHE . 54.7 mtt -127.67 42.18 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 5.21 111.232 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 6.6 p -176.17 136.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.094 0.474 . . . . 3.44 111.641 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 100' ' ' LEU . 26.9 t70 -161.16 26.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 3.67 110.67 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.44 ' CG ' ' HD1' ' A' ' 96' ' ' HIS . 22.2 m120 -96.59 56.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 3.74 111.258 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 244' ' ' TRP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 106' ' ' GLU . 65.6 p-90 -101.73 155.74 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.91 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -140.8 151.69 63.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 3.78 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.1 162.33 16.94 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.413 2.075 . . . . 2.43 111.802 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 247' ' ' ALA . . . . . 0.455 ' HB1' ' N ' ' A' ' 32' ' ' ASP . . . -163.05 41.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 3.18 111.118 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.82 133.16 93.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 5.35 110.99 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.12 123.93 6.4 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.359 2.039 . . . . 4.02 112.39 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.3 mm? -80.0 -48.83 12.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 3.94 110.788 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.95 -63.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 6.83 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -171.13 -54.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 5.02 110.885 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 63.15 168.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 5.82 111.108 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -124.08 124.28 42.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 3.22 111.284 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 27.2 mm -84.09 106.87 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 2.02 111.176 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 192' ' ' THR . 57.9 tptt -77.13 92.23 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 2.91 110.191 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.46 111.507 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 41' ' ' ASP . 48.0 t -90.23 -27.12 19.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.872 -0.604 . . . . 2.32 110.482 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -111.96 158.34 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.865 -0.607 . . . . 3.3 110.544 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.164 -0.922 . . . . 4.59 111.232 -179.797 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.482 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.821 0.343 . . . . 32.91 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m 56.58 47.78 17.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.975 -0.557 . . . . 30.03 111.176 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -64.91 143.9 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 29.61 110.766 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -111.09 -6.89 14.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 26.81 111.028 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -94.34 140.47 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 25.62 110.861 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.32 153.85 9.61 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.8 -0.714 . . . . 23.39 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -128.97 -58.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.333 . . . . 23.38 110.662 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.1 -64.06 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 19.99 112.459 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -81.92 -12.19 58.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 19.34 110.527 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -91.61 -0.83 57.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.575 . . . . 18.14 110.911 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -108.3 -0.74 20.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 18.74 110.887 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 80.77 1.55 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.817 -0.706 . . . . 16.42 112.735 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.36 152.5 71.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.517 2.145 . . . . 15.7 112.071 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -130.24 -76.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 15.32 111.087 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -147.79 46.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 15.63 111.067 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -61.16 -25.34 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 11.72 110.851 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 23.8 p80 -71.78 -26.74 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 12.77 111.075 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -75.03 -17.86 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 15.94 111.117 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -88.32 -51.45 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.398 . . . . 12.96 111.009 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.59 151.36 77.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 10.55 110.934 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -80.43 27.86 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.559 2.172 . . . . 9.69 112.163 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' A' ' 204' ' ' GLU . 39.1 mt -80.26 -37.95 17.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 8.17 110.539 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.86 -28.24 24.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.836 -0.62 . . . . 9.4 110.697 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 17' ' ' HIS . 32.0 mmmt -70.65 -15.61 62.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 13.28 110.653 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.73 156.25 15.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.755 -0.736 . . . . 8.88 112.702 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -138.87 72.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.057 0.456 . . . . 8.92 110.588 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -127.87 23.01 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 9.6 110.779 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.59 -43.82 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 6.33 111.173 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.92 157.0 63.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 3.57 111.087 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.7 133.35 32.66 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.813 2.342 . . . . 2.88 112.141 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 250' ' ' LEU . 90.6 t -121.92 154.36 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.073 -0.512 . . . . 2.26 110.773 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -88.4 98.54 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 2.44 110.116 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 HG13 ' A' ' 255' ' ' ILE . 3.0 mp -78.6 136.49 23.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 1.53 111.146 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.604 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -110.55 129.21 55.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 1.51 110.889 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -80.28 -18.51 49.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 1.95 111.212 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -81.76 -38.68 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 3.43 111.674 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 34' ' ' ASP . 6.2 t -84.84 -17.22 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.703 0.287 . . . . 1.73 111.521 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 155.83 12.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.405 . . . . 1.29 111.226 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -124.13 132.87 53.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 3.53 110.69 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' HB3' ' N ' ' A' ' 260' ' ' LYS . 47.6 p90 -73.87 134.87 43.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 4.17 110.987 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.42 90.94 42.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 3.04 110.685 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.17 52.11 3.55 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.643 2.229 . . . . 2.3 112.69 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -68.97 -45.0 71.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 3.07 110.816 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.29 142.04 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 3.08 110.922 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -108.44 151.5 41.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 4.28 110.974 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 188' ' ' LEU . 35.5 Cg_endo -65.21 125.9 15.4 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.182 1.921 . . . . 2.41 111.359 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.11 -64.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 5.24 111.638 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -135.36 110.01 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 2.67 111.272 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 79' ' ' LEU . 49.1 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 2.44 110.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 m -110.91 143.68 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 2.58 110.801 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -173.23 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 4.87 110.68 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.98 -20.56 65.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 4.17 109.803 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -98.06 -13.61 20.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.649 -0.705 . . . . 4.62 110.296 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.39 161.38 7.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 1.97 111.13 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 m -128.14 136.27 50.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 1.9 111.142 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.3 p -87.15 175.44 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.759 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -111.64 -39.09 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 3.58 110.705 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -174.18 158.02 2.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 4.62 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.3 mt -131.46 103.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 1.72 110.769 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD13 ' OG ' ' A' ' 172' ' ' SER . 44.5 tp -113.76 149.9 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 2.58 110.597 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.548 HD21 HG21 ' A' ' 166' ' ' ILE . 15.4 m-80 -103.7 150.51 23.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 1.94 111.047 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -106.39 21.91 16.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.13 111.329 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.35 11.98 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.556 -0.831 . . . . 2.64 112.604 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -177.85 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.577 0.227 . . . . 4.34 111.432 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.04 179.23 4.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 2.12 111.197 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB2' ' HD1' ' A' ' 95' ' ' PHE . 62.1 m-85 -120.07 145.95 46.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 3.39 110.491 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.9 104.91 6.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.497 -0.32 . . . . 2.57 110.457 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.14 138.29 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 1.95 111.362 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -125.2 170.34 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 3.84 110.967 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -115.14 155.75 26.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 4.12 110.791 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.63 135.36 48.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 3.04 110.753 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.99 16.24 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 3.88 110.923 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.7 t -54.1 -39.35 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 3.2 110.895 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.409 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.3 tp-100 -166.91 -70.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.299 -0.409 . . . . 4.06 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 4.0 p30 -174.77 156.18 2.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 2.84 110.759 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 73.8 mmtt -145.13 -74.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 3.26 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.3 131.52 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.42 111.065 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.44 156.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.921 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 56.2 tp -128.4 134.17 48.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.342 . . . . 2.3 110.947 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -155.3 143.46 20.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 2.67 110.696 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.96 -176.38 33.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 2.5 112.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.01 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.811 -0.709 . . . . 2.63 112.744 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -10.22 28.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.403 2.069 . . . . 4.13 112.32 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.65 130.83 44.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.519 . . . . 3.0 110.809 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -111.47 58.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 5.04 110.538 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.71 108.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.895 -0.669 . . . . 1.92 112.404 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.1 p -80.95 156.14 26.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 1.68 111.309 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.624 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 89.4 m-85 -125.88 126.68 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 3.43 110.636 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 122' ' ' HIS . 80.5 mtm180 -103.3 129.26 50.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.587 -0.279 . . . . 3.79 110.875 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 mt -82.69 140.44 33.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.421 -0.354 . . . . 2.52 110.564 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' HA ' ' A' ' 122' ' ' HIS . 3.1 mm -103.82 -69.95 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.275 -0.421 . . . . 2.47 111.919 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -159.24 168.39 26.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.712 -0.222 . . . . 2.41 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 47.6 p90 -155.79 155.58 33.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.065 0.459 . . . . 1.57 111.731 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.4 p-80 -125.86 168.19 14.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.577 -0.738 . . . . 1.29 110.403 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' HD1' ' HB2' ' A' ' 66' ' ' PHE . 86.7 m-85 -114.71 146.56 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 3.19 111.974 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.521 ' ND1' ' HB3' ' A' ' 243' ' ' ASN . 15.3 m-70 -105.51 168.26 9.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.875 -0.602 . . . . 1.68 110.215 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.653 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 97.6 m95 -140.23 158.96 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 5.75 111.156 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.54 113.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.86 -0.609 . . . . 3.04 112.21 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.3 m -85.7 -22.39 27.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.689 0.28 . . . . 4.29 111.326 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HG ' ' H ' ' A' ' 102' ' ' GLY . 21.0 tp -88.2 140.38 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 5.2 110.981 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.36 1.32 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 5.33 110.665 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.564 ' H ' ' HG ' ' A' ' 100' ' ' LEU . . . -117.11 -9.48 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.907 -0.663 . . . . 4.18 112.323 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -138.98 147.63 42.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 4.67 110.781 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.39 -61.86 0.12 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.8 -0.714 . . . . 1.95 112.548 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 63.6 m -109.13 163.67 13.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.599 0.238 . . . . 2.04 110.965 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.99 -77.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.447 -0.342 . . . . 2.64 111.174 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.0 166.57 22.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 2.11 111.099 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 113' ' ' LYS . 67.1 p -142.33 108.76 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 1.88 111.09 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.4 HG22 ' HE2' ' A' ' 114' ' ' TYR . 26.8 m -87.53 150.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.833 0.349 . . . . 2.24 110.991 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 t70 53.53 32.25 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 2.18 110.776 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 60.56 25.5 15.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.981 -0.554 . . . . 3.37 111.512 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -124.65 138.41 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 3.86 111.225 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 108' ' ' THR . 4.3 ttmp? -100.77 154.37 18.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.071 -0.513 . . . . 2.57 110.627 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HE2' HG22 ' A' ' 109' ' ' VAL . 84.5 m-85 -110.02 156.45 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 2.18 111.02 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.06 -21.29 20.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 1.72 111.935 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.01 144.81 28.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 1.55 111.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.485 ' H ' ' HB2' ' A' ' 96' ' ' HIS . 32.9 tt0 -152.65 133.32 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 2.4 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 145' ' ' ILE . 4.2 pp -86.96 148.03 25.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 2.07 110.907 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -120.07 99.88 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 1.71 111.254 -179.624 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' LEU . 2.8 tt -99.9 116.88 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 2.51 110.492 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.92 109.89 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.83 110.721 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 91' ' ' ILE . 18.8 p80 -126.94 150.89 49.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 2.43 110.886 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -131.85 152.44 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 3.95 110.996 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.476 ' HB3' ' HG2' ' A' ' 126' ' ' LYS . 2.2 m-20 -58.71 149.67 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.543 . . . . 2.19 111.135 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -81.62 -15.03 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.758 -0.655 . . . . 1.77 111.336 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 124' ' ' ASN . 21.4 ptmt -67.41 -36.16 80.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.437 -0.347 . . . . 3.65 111.033 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.4 ' C ' ' H ' ' A' ' 129' ' ' ASP . 61.2 m-85 -79.62 -29.71 41.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.366 -0.379 . . . . 4.38 110.673 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.21 -18.16 1.26 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.962 -0.637 . . . . 2.22 113.366 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.5 m-20 -142.02 145.31 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 3.07 111.051 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -67.38 -21.89 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.63 . . . . 3.08 110.825 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.66 -41.49 74.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 2.36 112.138 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -81.39 -17.51 48.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.021 0.438 . . . . 3.63 110.291 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.403 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -77.48 -44.95 27.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 1.73 111.049 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -0.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 2.3 111.436 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -72.47 -27.29 62.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 3.84 110.982 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -122.92 151.83 61.78 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 3.22 111.024 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.34 -50.65 9.19 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.381 2.054 . . . . 2.44 111.786 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.64 1.41 34.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 2.64 110.824 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -48.97 -58.46 7.72 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.862 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.21 153.95 51.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 1.76 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -121.52 165.23 15.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.094 -0.503 . . . . 0.98 110.93 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.42 117.93 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 1.3 111.724 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 209' ' ' ILE . 95.2 mt -86.19 116.92 24.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.331 -0.395 . . . . 2.1 110.342 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.96 111.92 1.06 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.487 -0.863 . . . . 1.4 112.769 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.633 HD12 HD21 ' A' ' 118' ' ' LEU . 59.6 mt -92.49 120.82 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.309 . . . . 1.53 110.908 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -73.48 90.74 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 4.48 110.725 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.32 135.67 47.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 3.25 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.56 ' HB3' HD12 ' A' ' 215' ' ' ILE . 27.6 tptp -131.27 146.01 52.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 4.32 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.5 t -81.13 117.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 3.13 111.037 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.49 69.68 0.07 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.756 -0.735 . . . . 3.15 112.781 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 217' ' ' VAL . 45.8 t -149.54 155.01 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 3.85 110.959 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.87 166.48 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.535 . . . . 3.82 111.095 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.472 ' HZ3' ' HA ' ' A' ' 157' ' ' GLN . 40.7 ttmt -104.98 136.44 19.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 5.19 110.711 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.43 18.23 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.408 2.072 . . . . 3.09 112.711 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 83.16 47.51 5.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 2.71 112.787 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.65 24.81 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.023 0.439 . . . . 3.94 110.411 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.472 ' HA ' ' HZ3' ' A' ' 153' ' ' LYS . 13.2 pt20 -59.16 -27.57 65.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.728 -0.669 . . . . 3.55 111.34 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -69.49 -33.73 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 4.82 110.896 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.3 -32.61 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 3.12 111.482 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.3 -19.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 3.14 111.276 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.8 -19.2 38.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 3.01 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 35.0 m -54.89 -17.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 2.46 112.243 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.5 -21.14 62.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 2.31 111.127 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.33 -14.32 4.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 2.42 110.631 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -86.24 -35.76 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 1.85 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.548 HG21 HD21 ' A' ' 61' ' ' ASN . 3.2 mp -106.13 51.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.976 0.417 . . . . 2.44 110.676 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.434 ' HA ' HD23 ' A' ' 228' ' ' LEU . 98.4 mttt -55.09 -48.4 73.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 3.75 110.577 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 53.3 p -101.23 161.14 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 2.36 110.599 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 169' ' ' LYS . 0.0 OUTLIER -78.82 147.86 33.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 3.46 110.582 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.52 -21.18 19.66 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.77 . . . . 2.2 112.638 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.445 ' HB3' HG23 ' A' ' 166' ' ' ILE . 56.1 tptt -88.04 142.08 28.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 3.33 110.404 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.422 ' OG ' HD13 ' A' ' 60' ' ' LEU . 1.6 m -96.98 171.27 8.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 2.27 110.779 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -151.94 134.68 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 1.89 111.175 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 157.86 37.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -48.12 138.24 9.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.972 -0.558 . . . . 4.47 111.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.1 t -145.65 -172.8 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 4.59 110.827 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.69 55.73 3.87 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.884 0.373 . . . . 6.35 111.036 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -96.06 109.54 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 4.67 110.812 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -149.9 83.22 6.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 3.92 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.33 -12.78 37.1 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.47 2.113 . . . . 4.59 112.76 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -71.78 -25.14 61.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 8.64 110.788 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -86.02 37.03 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 3.43 112.419 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.75 -15.4 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 5.71 110.603 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.65 128.94 80.76 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 4.53 110.551 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.32 136.82 10.21 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.4 2.067 . . . . 3.71 112.558 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.5 -12.01 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 6.38 110.62 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 78.4 p -155.89 159.18 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 5.07 110.692 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 46' ' ' PRO . 38.9 tp -130.66 100.84 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 4.32 111.039 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -174.02 163.42 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 3.78 110.726 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -139.8 179.9 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.395 . . . . 3.36 110.763 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.497 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 12.7 t-105 -166.3 132.82 2.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 4.16 110.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.0 t -136.15 145.34 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 1.5 111.679 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' TYR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 194' ' ' PRO . 80.7 t80 -158.98 88.74 2.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.992 -0.549 . . . . 2.91 110.557 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 193' ' ' TYR . 10.9 Cg_endo -54.23 149.12 37.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.641 2.227 . . . . 1.48 112.44 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -149.71 174.43 29.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.885 -0.674 . . . . 1.64 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 50.1 m -121.7 168.22 12.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.953 0.406 . . . . 2.75 110.984 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 197' ' ' LEU . 7.0 mp -96.04 174.58 6.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 5.98 110.494 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 63.8 p -74.79 3.54 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 5.3 110.818 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 81.1 p -89.52 162.42 36.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 4.96 110.986 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 2.7 Cg_endo -41.5 151.06 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.819 2.346 . . . . 5.64 112.329 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 20.8 Cg_exo -65.59 79.28 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 6.0 112.713 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.8 tp -174.95 31.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.419 . . . . 5.41 110.968 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 98.7 mt -149.34 31.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 5.02 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.535 ' HB3' HG12 ' A' ' 22' ' ' ILE . 42.8 tt0 -84.0 86.27 7.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.956 -0.565 . . . . 3.98 110.543 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 86.3 m -135.41 23.03 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 2.48 110.871 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.49 126.2 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.571 . . . . 1.8 111.163 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 13.5 m -113.25 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.403 -0.362 . . . . 1.27 110.801 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -98.06 108.12 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 2.43 111.095 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.566 ' HB ' HD23 ' A' ' 143' ' ' LEU . 4.1 mm -108.23 157.47 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.847 -0.615 . . . . 1.45 110.887 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 57.0 t -127.0 99.28 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 2.12 110.982 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 145' ' ' ILE . 96.5 mt -63.92 167.98 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 3.85 111.204 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -88.03 -6.69 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 5.85 111.036 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.489 ' HB3' HD13 ' A' ' 145' ' ' ILE . 14.7 tp10 -57.55 134.89 82.22 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.265 -0.425 . . . . 5.91 110.866 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 214' ' ' PRO . . . . . 0.424 ' HD2' ' OE1' ' A' ' 213' ' ' GLU . 14.5 Cg_endo -56.52 150.27 52.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.663 2.242 . . . . 3.58 112.624 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 148' ' ' LYS . 28.9 pt -86.23 172.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 4.42 111.272 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 47.6 t -47.75 172.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.072 -0.513 . . . . 3.53 111.847 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' ' HB3' ' A' ' 151' ' ' SER . 26.9 m -98.82 177.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 2.45 111.538 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 42.4 t -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 3.39 111.104 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.5 p -67.99 -16.66 64.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 2.82 110.579 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -85.9 -22.13 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 4.51 110.384 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.26 -15.43 35.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 3.92 111.298 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.631 ' HB ' ' HB2' ' A' ' 225' ' ' PHE . 34.9 m -89.1 30.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.513 -0.312 . . . . 2.44 111.734 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.22 -43.66 83.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.861 0.362 . . . . 2.8 110.897 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 3.78 110.786 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' PHE . . . . . 0.631 ' HB2' ' HB ' ' A' ' 222' ' ' VAL . 48.3 m-85 -70.47 -17.43 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 3.33 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.464 ' HG2' ' HA3' ' A' ' 234' ' ' GLY . 96.1 mtt180 -65.51 -11.18 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.82 110.975 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -86.54 -3.84 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.908 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 167' ' ' LYS . 97.7 mt -93.44 162.04 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.519 . . . . 2.93 111.335 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.83 -159.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 2.92 110.494 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 239' ' ' LEU . 7.4 m-85 -47.67 -28.63 2.5 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.701 0.26 . . . . 5.3 111.701 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -70.53 7.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.889 0.329 . . . . 4.3 111.889 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -145.88 156.17 26.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.457 -0.878 . . . . 4.09 112.534 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -86.9 152.46 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.747 0.308 . . . . 7.57 110.873 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 234' ' ' GLY . . . . . 0.464 ' HA3' ' HG2' ' A' ' 226' ' ' ARG . . . 93.72 21.51 28.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 6.31 113.2 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.26 101.92 53.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.719 0.259 . . . . 5.7 111.106 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.03 157.25 62.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.437 2.091 . . . . 6.54 112.39 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.92 29.05 13.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 6.78 111.021 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.87 118.0 8.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 5.03 111.012 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 230' ' ' PHE . 90.7 mt -69.45 102.04 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 5.11 110.801 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -85.65 -12.63 50.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.926 0.394 . . . . 5.21 110.787 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.9 146.78 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.937 -0.574 . . . . 3.44 111.119 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.58 -40.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 3.67 110.424 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.653 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 10.7 m120 -100.2 55.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 3.74 110.686 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -96.99 144.14 27.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 3.25 111.116 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -141.16 118.36 7.69 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.808 -0.633 . . . . 3.78 110.992 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.44 169.63 18.07 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.29 1.994 . . . . 2.43 112.217 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -146.58 161.9 39.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.392 . . . . 3.18 111.601 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.72 143.64 41.24 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.074 -0.512 . . . . 5.35 110.665 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.49 123.74 3.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.533 2.155 . . . . 4.02 112.634 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 31' ' ' VAL . 48.6 tp -80.27 -43.61 21.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.94 110.973 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm 69.91 9.04 6.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.685 -0.689 . . . . 6.83 110.825 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -139.46 176.58 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 5.02 111.005 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 65.37 145.25 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.034 -0.53 . . . . 5.82 111.653 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -102.97 152.53 21.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.863 -0.608 . . . . 3.22 110.719 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.498 HG13 HG23 ' A' ' 33' ' ' ILE . 2.5 mm -90.73 146.27 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 2.02 111.174 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -125.81 89.34 3.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.66 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.14 173.98 6.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 1.46 111.489 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.3 t -78.66 -39.47 36.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 2.32 110.566 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.74 138.68 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 3.3 110.669 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 260' ' ' LYS . . . . . 0.413 ' N ' ' HB3' ' A' ' 40' ' ' TYR . 17.3 ptpt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.086 -0.959 . . . . 4.59 111.369 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.388 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ppp? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.896 0.379 . . . . 32.91 111.063 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -129.75 136.55 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 30.03 110.95 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -133.61 -59.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 29.61 110.767 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -146.36 129.15 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 26.81 110.79 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -117.5 144.92 44.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 25.62 110.926 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.23 115.28 4.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.836 -0.697 . . . . 23.39 112.536 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -158.3 -55.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 23.38 110.737 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.69 84.88 1.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 19.99 112.365 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -71.19 -29.87 65.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 19.34 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -75.42 0.89 15.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 18.14 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.15 -10.67 16.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 18.74 110.702 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.05 155.12 21.87 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.87 -0.681 . . . . 16.42 112.458 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.82 147.47 62.55 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.401 2.067 . . . . 15.7 112.427 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -129.72 -68.39 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 15.32 111.013 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.25 96.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 15.63 110.991 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -62.88 -15.74 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.315 -0.402 . . . . 11.72 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -83.58 -34.93 25.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 12.77 110.664 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -74.92 -19.97 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 15.94 111.01 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.82 -48.13 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 12.96 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -125.35 118.67 24.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 10.55 110.852 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 24' ' ' LYS . 37.0 Cg_endo -66.69 -5.25 12.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.24 1.96 . . . . 9.69 112.043 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 204' ' ' GLU . 54.9 mt -62.08 -47.43 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 8.17 110.794 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.96 -25.69 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.935 -0.575 . . . . 9.4 110.533 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 60.8 tttp -70.83 -14.23 62.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.569 . . . . 13.28 110.506 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.08 120.55 1.09 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.818 -0.706 . . . . 8.88 112.553 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.69 91.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 8.92 110.812 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -99.49 2.58 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 9.6 110.662 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 198' ' ' THR . 26.5 mp0 -75.74 91.53 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 6.33 110.575 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.1 m -158.6 146.17 13.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 3.57 110.958 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.412 ' HG3' ' O ' ' A' ' 246' ' ' PRO . 74.4 Cg_endo -76.01 132.75 14.41 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.472 2.115 . . . . 2.88 112.091 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.87 141.27 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 2.26 110.762 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 6.7 p-10 -92.57 99.04 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 2.44 111.028 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD13 ' A' ' 255' ' ' ILE . 3.9 mp -80.63 127.31 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.514 . . . . 1.53 110.758 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' HG22 ' A' ' 37' ' ' THR . 7.0 m-20 -112.15 129.56 56.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.51 111.016 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p -56.75 -26.34 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.615 -0.721 . . . . 1.95 111.594 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.48 -40.75 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 3.43 110.982 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 34' ' ' ASP . 11.7 t -87.04 -10.1 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 1.73 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 255' ' ' ILE . . . -62.6 157.34 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 1.29 111.048 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -140.69 118.37 11.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 3.53 111.025 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -72.28 136.36 46.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 4.17 110.623 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -115.96 94.33 41.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 3.04 111.167 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.22 27.63 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.448 2.099 . . . . 2.3 112.239 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -79.03 -0.11 29.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 3.07 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.4 pt? -142.07 139.87 32.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 3.08 110.76 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 24.7 mtpp -91.08 157.01 43.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 4.28 110.621 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 11.3 Cg_endo -54.74 157.68 12.16 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.486 2.124 . . . . 2.41 112.333 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.0 pt? -125.66 134.52 51.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 5.24 111.074 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.3 m -80.54 151.85 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.968 -0.56 . . . . 2.67 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.31 143.44 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 2.44 111.139 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -113.45 136.34 52.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 2.58 110.949 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -165.59 33.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 4.87 111.304 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.81 -23.33 31.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 4.17 110.258 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -95.64 -12.12 26.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.738 -0.664 . . . . 4.62 110.625 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -48.91 120.52 3.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.207 -0.451 . . . . 1.97 111.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -90.85 128.95 36.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 1.9 111.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -170.75 105.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 1.87 110.38 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.6 mp -102.09 -39.14 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.62 -0.264 . . . . 3.58 111.247 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 20.7 tpt180 -176.37 165.35 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 4.62 110.758 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 42.4 pt -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 1.72 110.938 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.8 tp -92.63 147.35 22.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 2.58 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.18 157.06 16.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 1.94 110.62 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -106.3 17.59 23.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 3.13 111.491 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.13 0.51 61.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 2.64 111.961 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -137.44 -58.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 4.34 110.406 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.9 149.41 36.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 2.12 110.671 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.442 ' H ' ' HE1' ' A' ' 95' ' ' PHE . 37.1 p90 -126.21 138.22 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.041 0.448 . . . . 3.39 111.452 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -121.64 153.05 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 2.57 110.078 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 59' ' ' ILE . 29.9 m -91.24 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 1.95 111.292 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.42 107.19 8.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 3.84 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -93.37 141.64 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 4.12 110.629 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.04 136.55 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 3.04 110.578 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -132.36 23.43 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 3.88 110.821 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.1 p -59.02 -39.43 81.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 3.2 111.306 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -135.25 28.9 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 4.06 111.512 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 59.13 88.39 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 2.84 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.631 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 47.3 mmtm -73.85 -73.84 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 3.26 110.995 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -101.09 152.62 20.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.322 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 79' ' ' LEU . 8.9 p -146.51 165.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 1.72 110.717 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 78' ' ' VAL . 19.8 tp -134.52 122.08 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.525 -0.307 . . . . 2.3 110.736 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.626 ' HD2' ' HB ' ' A' ' 87' ' ' THR . 82.6 tttt -159.31 138.43 11.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 2.67 111.06 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 47' ' ' LEU . . . 175.6 -155.09 19.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.822 -0.704 . . . . 2.5 112.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.79 -158.19 8.31 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.743 -0.741 . . . . 2.63 112.761 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.6 -41.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.685 2.257 . . . . 4.13 112.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.15 156.26 15.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 3.0 111.19 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.72 18.83 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 5.04 110.707 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.96 82.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 1.92 112.259 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.626 ' HB ' ' HD2' ' A' ' 80' ' ' LYS . 9.8 t -57.98 136.96 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 1.68 111.436 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.604 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 77.6 m-85 -111.42 131.24 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 3.43 110.678 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 122' ' ' HIS . 16.7 ptm180 -97.81 144.37 27.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 3.79 110.834 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.836 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.7 pt? -100.09 142.89 30.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 2.52 110.598 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.572 HD13 HG23 ' A' ' 121' ' ' VAL . 3.9 mp -113.78 -70.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 2.47 111.493 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.11 172.17 18.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.76 0.314 . . . . 2.41 111.109 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 33.7 p90 -152.95 159.25 42.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 1.57 111.355 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 4.5 p-80 -128.3 166.17 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.736 -0.666 . . . . 1.29 110.18 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.442 ' HE1' ' H ' ' A' ' 66' ' ' PHE . 32.5 p90 -111.25 150.15 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 3.19 110.38 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -96.31 145.95 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 1.68 110.961 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 241' ' ' VAL . 7.3 m-90 -63.37 136.93 57.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 5.75 111.087 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 241' ' ' VAL . . . 179.59 108.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.96 -0.638 . . . . 3.04 112.25 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.621 ' H ' HG11 ' A' ' 241' ' ' VAL . 47.0 t -91.97 -35.27 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 4.29 111.075 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.7 mt -88.73 150.95 22.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 5.2 111.129 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -93.65 -0.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 5.33 110.855 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.83 -17.02 36.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.784 -0.722 . . . . 4.18 111.94 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.502 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 3.8 pt20 -139.45 148.17 42.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.681 0.277 . . . . 4.67 110.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.68 -60.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.524 -0.846 . . . . 1.95 112.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -80.8 168.75 18.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 2.04 111.11 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.68 16.92 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 2.64 110.927 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 50.0 m80 -143.52 169.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 2.11 110.618 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 42.8 m -137.26 80.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 1.88 111.318 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 26.0 m -84.66 148.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.521 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 32.74 21.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 2.18 110.404 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 59.35 22.5 10.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.062 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -136.36 151.68 49.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 3.86 110.807 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.8 ttmp? -114.79 133.7 55.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 2.57 110.55 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -71.72 166.5 21.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.852 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.37 -28.09 22.4 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 1.72 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -175.4 176.23 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 1.55 110.822 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.35 152.84 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 2.4 111.104 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 145' ' ' ILE . 67.4 mt -88.89 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 2.07 111.086 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -102.42 95.42 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 1.71 111.259 -179.699 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 143' ' ' LEU . 40.9 tp -102.34 136.26 42.49 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.194 -0.298 . . . . 2.51 110.194 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HD13 ' A' ' 91' ' ' ILE . 22.1 m -112.4 147.56 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 1.83 111.73 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 31.8 m-70 -131.69 152.65 50.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 2.43 110.677 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -137.85 149.63 46.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.076 0.465 . . . . 3.95 111.096 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -76.09 111.83 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.708 -0.678 . . . . 2.19 110.529 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 t -84.67 -14.98 46.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.293 -0.412 . . . . 1.77 111.958 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -63.27 -32.23 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 3.65 110.854 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.09 -17.06 47.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 4.38 111.148 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.17 -26.41 19.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 2.22 113.17 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -143.25 146.83 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 3.07 111.233 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 134' ' ' VAL . 42.5 p90 -65.26 -21.27 66.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 3.08 110.79 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.05 95.96 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.512 -0.852 . . . . 2.36 111.768 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.72 -17.32 59.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 3.63 110.246 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.29 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 1.73 110.446 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 130' ' ' PHE . 8.5 t -77.14 -2.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 2.3 110.67 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -72.1 -15.43 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.84 110.764 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -147.43 152.98 43.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.22 110.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.67 -10.83 29.62 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.552 2.168 . . . . 2.44 112.573 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.06 9.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 2.64 110.778 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.55 -16.32 40.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.816 -0.706 . . . . 1.49 112.308 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.1 pt? -140.14 126.22 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 1.76 110.825 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.36 160.71 24.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.98 111.006 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.72 112.16 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.3 111.242 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.588 ' HB3' HD23 ' A' ' 120' ' ' LEU . 50.8 tp -90.24 144.35 25.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 2.1 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -120.82 125.95 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.937 -0.649 . . . . 1.4 112.221 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.531 ' HB ' HD12 ' A' ' 118' ' ' LEU . 63.5 mt -119.17 140.07 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 1.53 111.223 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.9 82.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.981 -0.554 . . . . 4.48 111.204 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 3.25 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -112.45 156.49 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 4.32 110.826 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.23 126.09 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 3.13 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.401 ' HA2' HG21 ' A' ' 222' ' ' VAL . . . -176.33 -102.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.421 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 217' ' ' VAL . 26.4 t -160.42 -177.43 6.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.756 0.312 . . . . 3.85 110.898 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.27 -52.69 5.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 3.82 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 156' ' ' LEU . 8.8 ptpp? -106.3 151.4 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 5.19 111.058 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.71 1.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.684 2.256 . . . . 3.09 112.474 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.7 -48.66 3.37 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.722 -0.751 . . . . 2.71 112.831 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.408 ' H ' ' HG3' ' A' ' 153' ' ' LYS . 65.4 mt 60.69 29.08 18.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.359 . . . . 3.94 110.904 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -73.26 -56.99 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 3.55 110.76 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -71.45 -20.65 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 4.82 110.736 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.99 -22.85 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 3.12 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.49 -37.38 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 3.14 111.08 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.74 -47.1 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 3.01 110.993 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 166' ' ' ILE . 27.7 m -76.03 -26.26 17.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 2.46 111.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 164' ' ' ASP . 2.5 tt -65.4 -52.8 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 2.31 111.234 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.428 ' N ' HD23 ' A' ' 163' ' ' LEU . 17.7 t70 -54.93 -17.66 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 2.42 110.592 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.6 t -85.81 -42.17 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 1.85 110.526 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 173' ' ' ALA . 23.6 pt -94.14 45.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 2.44 111.236 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.64 -48.44 66.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 3.75 110.711 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.631 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 29.8 p -107.79 148.42 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.763 -0.653 . . . . 2.36 110.626 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -63.48 139.24 58.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.742 0.306 . . . . 3.46 110.583 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 102.39 2.23 50.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.811 -0.709 . . . . 2.2 112.587 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -109.57 152.04 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 3.33 111.007 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.6 p -105.35 162.57 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 2.27 110.612 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.546 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -129.08 130.51 46.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 1.89 111.149 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.39 114.64 3.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.435 -0.348 . . . . 3.74 110.982 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -154.63 139.64 17.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 4.47 110.754 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 t -160.36 -173.86 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 4.59 110.751 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 54.35 56.74 6.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.056 0.455 . . . . 6.35 110.695 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -87.42 143.93 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 4.67 111.038 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.46 89.67 13.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.537 . . . . 3.92 111.042 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.476 ' HA ' HD23 ' A' ' 183' ' ' LEU . 72.8 Cg_endo -76.98 -8.09 17.62 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.501 2.134 . . . . 4.59 112.561 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.06 -19.36 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 8.64 110.783 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -76.5 -11.18 85.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 3.43 112.544 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 180' ' ' PRO . 3.7 mm? -85.83 18.21 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 5.71 110.583 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.497 HD12 ' HD2' ' A' ' 185' ' ' PRO . 51.9 tp -64.84 117.25 36.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 4.53 111.112 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.497 ' HD2' HD12 ' A' ' 184' ' ' LEU . 89.3 Cg_endo -80.8 133.84 9.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.506 2.137 . . . . 3.71 112.456 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.68 -10.62 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 6.38 110.849 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.9 m -121.61 156.53 32.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 5.07 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.28 144.34 44.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 4.32 111.0 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -176.7 144.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.514 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 258' ' ' SER . 84.5 m-85 -135.04 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 3.36 110.724 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.731 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 74.5 t90 -176.24 114.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 4.16 110.23 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.5 t -129.16 163.95 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 1.5 111.5 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -146.73 75.62 12.0 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 2.91 110.671 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.78 136.56 6.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.661 2.241 . . . . 1.48 112.307 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 153.31 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.654 -0.784 . . . . 1.64 112.671 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.608 ' HA ' HD13 ' A' ' 203' ' ' LEU . 77.6 p -151.87 137.99 18.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 2.75 111.256 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.77 ' H ' HD22 ' A' ' 203' ' ' LEU . 60.0 mt -111.16 -179.61 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 5.98 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 198' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 28' ' ' GLN . 4.4 m -90.37 23.34 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 5.3 110.55 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.451 ' OG1' HD23 ' A' ' 203' ' ' LEU . 31.1 p -96.53 157.07 35.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.76 -0.655 . . . . 4.96 111.156 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 202' ' ' LEU . 88.8 Cg_exo -46.93 160.66 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.725 2.283 . . . . 5.64 112.329 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 202' ' ' LEU . 53.6 Cg_exo -52.86 85.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.721 2.281 . . . . 6.0 112.518 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 201' ' ' PRO . 25.3 tp 177.13 52.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 5.41 109.772 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.77 HD22 ' H ' ' A' ' 197' ' ' LEU . 2.1 pp -135.16 27.48 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.697 -0.683 . . . . 5.02 111.153 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.77 3.16 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 3.98 111.012 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.7 m -148.01 47.58 1.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 2.48 111.52 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.35 122.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.94 0.4 . . . . 1.8 111.718 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 91.6 m -113.3 140.56 47.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 1.27 110.438 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -100.64 115.54 30.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 2.43 110.966 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -117.21 155.2 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 1.45 110.741 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 209' ' ' ILE . 33.8 m -109.37 139.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 2.12 110.853 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 15.5 tp -69.73 132.78 46.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 3.85 110.834 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -71.33 -9.95 58.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.248 -0.433 . . . . 5.85 111.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.421 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 17.4 mm-40 -70.67 162.18 72.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 5.91 110.759 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 214' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 185' ' ' PRO . 78.7 Cg_exo -48.1 142.49 15.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.397 2.065 . . . . 3.58 112.507 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 20.0 mt -79.92 149.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 4.42 111.44 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 40.8 t -65.18 173.21 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 3.53 110.718 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 151' ' ' SER . 31.2 m -99.04 177.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 2.45 110.76 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.0 t -102.72 170.8 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 3.39 111.554 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 45.0 t -52.59 -37.99 59.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 2.82 110.903 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.74 -29.5 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 4.51 111.265 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.98 -21.37 24.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 3.92 111.347 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 18.2 m -117.04 31.06 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.676 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.54 -28.13 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 2.8 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 34.8 mtmm -86.46 -22.88 26.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.78 111.133 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 225' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 78.4 t80 -84.07 -29.81 26.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 3.33 110.945 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 226' ' ' ARG . 2.8 mmp_? -69.62 -1.05 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 4.82 111.611 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 96.1 mttt -69.91 -8.86 52.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.702 0.287 . . . . 3.25 111.099 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.13 161.92 6.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.411 . . . . 2.93 111.127 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -93.27 139.87 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 2.92 111.047 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -89.5 3.46 52.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 5.3 110.851 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -166.09 122.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 4.3 110.6 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 232' ' ' GLY . . . . . 0.631 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . -76.57 171.66 54.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.581 -0.818 . . . . 4.09 112.428 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.83 142.35 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 7.57 110.723 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 68.8 10.96 62.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 6.31 112.33 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -101.83 149.99 36.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.401 0.143 . . . . 5.7 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.54 136.93 65.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.508 2.139 . . . . 6.54 112.12 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.26 101.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 6.78 111.105 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -113.29 121.89 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 5.03 110.702 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 242' ' ' ASP . 61.0 tp -66.48 146.91 54.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 5.11 111.034 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 61.8 mtt -47.12 -64.12 0.86 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.19 -0.459 . . . . 5.21 111.007 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 99' ' ' SER . 2.3 p -141.47 144.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 3.44 111.434 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.441 ' HB3' HD23 ' A' ' 239' ' ' LEU . 5.1 p-10 -162.76 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.704 . . . . 3.67 110.081 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.51 56.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 3.74 110.692 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -97.0 167.9 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 3.25 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -136.74 158.11 73.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 3.78 111.086 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' PRO . 50.3 Cg_exo -54.37 173.13 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.478 2.119 . . . . 2.43 112.465 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -145.13 31.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.18 110.97 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -69.01 119.27 68.76 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.162 -0.472 . . . . 5.35 110.955 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.57 136.5 21.46 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.369 2.046 . . . . 4.02 112.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 49.7 mt -80.17 -48.92 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 3.94 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -177.0 -63.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 6.83 110.542 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -168.88 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 5.02 110.666 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 60.59 158.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.115 0.483 . . . . 5.82 111.634 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -108.68 143.23 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 3.22 110.481 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 38' ' ' ALA . 10.8 tp -92.28 144.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 2.02 111.429 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -112.77 73.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 2.91 110.402 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.83 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 1.46 111.13 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 190' ' ' TYR . 48.5 t -76.85 -43.32 36.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.11 -0.495 . . . . 2.32 110.287 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -112.91 176.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 3.3 111.169 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 4.59 111.075 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.483 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.697 0.284 . . . . 32.91 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -157.55 24.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 30.03 111.12 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -147.9 -7.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 29.61 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -75.79 -0.41 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 26.81 111.041 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -107.49 141.7 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 25.62 110.705 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.04 57.63 0.26 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.863 -0.684 . . . . 23.39 112.318 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -102.24 119.3 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 23.38 110.874 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.41 -45.38 0.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.638 -0.792 . . . . 19.99 112.869 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -80.82 -38.03 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 19.34 111.221 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -67.25 -29.85 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 18.14 111.095 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -111.46 26.6 10.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 18.74 111.136 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.33 76.27 0.41 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.664 -0.779 . . . . 16.42 112.672 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.39 101.09 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.547 2.165 . . . . 15.7 112.093 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -80.83 -170.81 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 15.32 110.961 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 58.51 75.14 0.4 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.04 -0.527 . . . . 15.63 110.967 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -58.01 -26.3 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 11.72 110.841 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.76 -38.96 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 12.77 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -98.0 10.98 39.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 15.94 111.254 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.86 -52.12 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 12.96 110.573 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -94.61 149.63 36.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 10.55 110.681 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 43.2 1.45 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.597 2.198 . . . . 9.69 112.777 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 mm -76.02 -43.23 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 8.17 110.814 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.07 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 9.4 110.605 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.5 -13.29 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 13.28 110.517 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.29 116.39 9.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 8.88 112.33 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -77.4 112.35 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 8.92 110.818 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG2' HD13 ' A' ' 203' ' ' LEU . 80.0 mtp180 -88.44 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 9.6 110.668 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -164.31 124.34 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 6.33 111.027 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 116.2 66.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 3.57 110.819 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.21 135.64 65.48 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.385 2.057 . . . . 2.88 112.227 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.08 163.45 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.212 -0.449 . . . . 2.26 110.696 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.73 98.74 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 2.44 111.025 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -78.0 125.9 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 1.53 110.748 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB2' HG22 ' A' ' 37' ' ' THR . 1.4 m-20 -112.74 127.47 56.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.51 111.04 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.6 m -80.24 -26.16 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 1.95 110.628 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.94 -40.89 83.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 3.43 111.01 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 255' ' ' ILE . 11.6 t -81.23 -14.8 57.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.73 111.051 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 157.46 27.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 1.29 111.116 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -125.97 120.78 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 3.53 110.948 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -57.1 123.51 15.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 4.17 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -119.63 95.42 49.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 3.04 110.944 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 -6.76 16.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.394 2.063 . . . . 2.3 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.8 m -60.85 -45.57 94.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 3.07 110.907 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -72.46 133.22 44.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 3.08 110.855 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.85 152.21 50.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 4.28 110.718 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.6 127.81 22.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.542 2.161 . . . . 2.41 112.366 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 pp -62.02 172.99 1.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 5.24 111.288 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 60.7 m -135.53 150.45 49.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 2.67 110.772 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.78 137.75 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 2.44 111.388 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' VAL . 53.2 m -113.54 145.68 40.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 2.58 110.96 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -166.46 57.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 4.87 110.882 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.86 -42.49 14.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.563 . . . . 4.17 109.827 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.91 -3.75 31.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 4.62 110.357 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -51.08 121.05 5.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.479 . . . . 1.97 111.194 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 m -149.68 142.29 24.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.9 111.267 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -86.89 149.79 24.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.057 -0.519 . . . . 1.87 110.37 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 tp -117.91 -38.86 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 3.58 111.825 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -167.76 162.69 13.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.347 . . . . 4.62 111.279 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' O ' HG13 ' A' ' 59' ' ' ILE . 23.4 pt -128.96 104.58 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.119 -0.491 . . . . 1.72 111.04 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.522 ' C ' HD21 ' A' ' 61' ' ' ASN . 54.9 tp -113.34 153.68 28.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.181 -0.463 . . . . 2.58 111.403 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.657 ' N ' HD21 ' A' ' 61' ' ' ASN . 0.5 OUTLIER -110.93 162.14 15.13 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.909 -0.587 . . . . 1.94 110.684 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.82 15.35 25.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.832 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 14.29 61.47 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.507 -0.854 . . . . 2.64 112.562 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 12.7 p80 -175.23 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 4.34 110.303 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 137.19 53.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 2.12 109.766 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' HIS . 37.7 p90 -120.1 133.79 55.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 3.39 111.114 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 1.5 m-20 -109.01 101.3 10.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.92 -0.582 . . . . 2.57 110.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' A' ' 59' ' ' ILE . 24.9 m -119.24 147.28 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.95 111.412 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -175.07 -96.04 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.294 -0.412 . . . . 3.84 110.934 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -138.06 175.36 9.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.697 0.284 . . . . 4.12 110.728 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -67.69 135.62 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 3.04 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.24 -11.15 24.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 3.88 110.965 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 t -54.9 -40.2 69.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 3.2 110.987 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -126.0 173.69 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 4.06 110.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.52 51.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 2.84 111.07 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 6.2 ptpp? -69.52 -7.03 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.062 -0.517 . . . . 3.26 110.968 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -155.36 120.2 4.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.136 -0.484 . . . . 1.42 110.995 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 50' ' ' SER . 32.6 m -121.53 167.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 1.72 111.021 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 tt -142.55 141.52 32.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 2.3 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HB2' ' H ' ' A' ' 48' ' ' SER . 96.8 mttt -117.1 168.99 9.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 2.67 110.556 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.76 30.53 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 2.5 112.642 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -165.34 30.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.762 -0.732 . . . . 2.63 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.01 -10.23 27.88 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.523 2.149 . . . . 4.13 112.376 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.37 149.47 42.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 3.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -91.17 0.26 57.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 5.04 110.771 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.89 72.5 2.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.721 . . . . 1.92 112.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -66.32 129.35 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 1.68 111.795 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.501 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 48.1 m-85 -92.79 120.56 33.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 3.43 110.171 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 125' ' ' THR . 56.2 ttp180 -66.37 136.68 56.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.318 . . . . 3.79 111.14 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.42 139.85 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.52 110.368 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -80.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.46 -0.336 . . . . 2.47 111.73 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -151.01 171.15 17.76 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.639 0.257 . . . . 2.41 110.907 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 31.3 p90 -138.64 144.92 39.9 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.977 0.418 . . . . 1.57 111.262 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.566 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.4 p-80 -117.66 168.07 10.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.804 -0.634 . . . . 1.29 110.732 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -120.61 154.12 35.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.958 0.409 . . . . 3.19 111.91 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -112.06 161.97 15.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.855 -0.611 . . . . 1.68 110.445 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.406 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 21.9 m-90 -140.56 109.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.701 0.286 . . . . 5.75 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 151.81 36.66 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.67 -0.776 . . . . 3.04 112.68 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.474 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 85.1 p -72.47 -15.51 61.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.824 0.345 . . . . 4.29 110.869 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.69 137.07 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 5.2 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.22 17.02 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 5.33 110.938 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.98 -42.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.301 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.1 pt20 -167.86 143.22 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 4.67 110.861 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.96 58.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 1.95 112.582 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 t -104.81 151.59 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.635 0.255 . . . . 2.04 110.782 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.42 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.64 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -85.46 168.29 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 2.11 110.767 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.4 p -139.49 108.18 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 1.88 111.008 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.421 HG12 ' HB ' ' A' ' 33' ' ' ILE . 32.6 m -93.13 156.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 2.24 111.265 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 4.4 m-20 54.81 30.6 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.824 -0.625 . . . . 2.18 111.18 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 58.79 22.62 10.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 3.37 111.155 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 75.8 mmtt -126.08 149.09 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 3.86 110.804 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.78 150.65 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 2.57 110.955 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.27 171.88 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 2.18 110.44 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -61.65 -54.16 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 1.72 111.037 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.61 -179.58 7.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 1.55 110.726 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -152.51 134.0 14.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 2.4 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 147' ' ' LEU . 3.5 pp -86.85 147.73 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 2.07 110.292 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.566 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 8.4 m170 -117.82 121.53 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 1.71 111.816 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 143' ' ' LEU . 1.1 mp -105.82 142.85 34.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 2.51 110.481 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 t -111.37 138.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 1.83 111.071 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 74.0 m80 -131.8 132.94 44.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 2.43 111.002 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -129.78 139.76 51.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 3.95 110.676 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -56.35 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.867 -0.606 . . . . 2.19 111.27 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 89' ' ' ARG . 4.2 t -74.57 -15.08 60.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 1.77 110.707 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -57.5 -33.38 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 3.65 110.651 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -89.4 -20.96 23.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 4.38 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.4 -12.25 51.99 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 2.22 112.267 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -141.59 145.47 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 3.07 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -72.53 -19.36 61.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 3.08 110.858 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -54.69 -42.39 77.57 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.766 -0.731 . . . . 2.36 112.471 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.87 -17.35 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 3.63 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.56 67.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 1.73 110.856 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.686 ' HA ' HD22 ' A' ' 140' ' ' LEU . 19.3 m -75.32 -7.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 2.3 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -82.11 8.74 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 3.84 111.308 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 139' ' ' GLY . 3.7 pt20 -158.98 140.47 9.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.473 -0.331 . . . . 3.22 110.878 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 31.1 Cg_exo -61.63 -19.87 66.63 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.533 2.156 . . . . 2.44 112.161 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -102.58 22.07 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 2.64 110.944 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 136' ' ' GLN . . . -108.65 -17.62 10.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.843 -0.694 . . . . 1.49 112.423 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 134' ' ' VAL . 1.6 pt? -139.64 128.17 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 1.76 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.38 122.08 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.98 110.844 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -94.21 108.7 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.3 111.172 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 211' ' ' LEU . 20.4 tp -85.99 144.41 27.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 2.1 110.439 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.69 132.8 6.75 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.515 -0.85 . . . . 1.4 113.03 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.482 HD12 HD11 ' A' ' 118' ' ' LEU . 68.0 mt -128.81 110.18 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 1.53 110.813 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -63.63 159.45 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 4.48 110.789 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 118' ' ' LEU . 89.8 mt -132.66 125.1 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.868 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -116.77 143.78 45.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 4.32 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.6 t -93.73 147.44 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 3.13 110.921 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.73 19.35 9.25 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.722 -0.752 . . . . 3.15 112.648 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.5 m -122.72 107.03 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 3.85 110.843 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.509 ' HA ' ' HB3' ' A' ' 218' ' ' SER . . . -59.35 137.66 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 3.82 111.13 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 156' ' ' LEU . 17.1 pttp -68.08 134.53 91.64 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.233 -0.44 . . . . 5.19 110.746 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 26.8 Cg_exo -62.87 -0.49 2.09 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.526 2.151 . . . . 3.09 112.368 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 133.76 62.21 0.07 OUTLIER Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.829 -0.7 . . . . 2.71 112.424 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 153' ' ' LYS . 8.4 mp -114.86 26.16 10.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.759 0.314 . . . . 3.94 110.781 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -47.92 -46.16 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 3.55 111.177 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -54.84 -44.21 73.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 4.82 111.315 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.15 -26.93 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 3.12 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.98 -31.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 3.14 111.223 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.76 -42.34 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 3.01 110.784 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.88 -23.36 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 2.46 111.143 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 164' ' ' ASP . 4.1 tt -69.28 -53.85 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 2.31 111.309 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.425 ' N ' HD23 ' A' ' 163' ' ' LEU . 21.1 t70 -56.34 -13.06 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 2.42 110.988 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 34.3 t -84.76 -44.01 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 1.85 111.425 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.515 HG22 ' CB ' ' A' ' 171' ' ' LYS . 1.6 pp -130.22 47.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.966 0.412 . . . . 2.44 111.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -66.97 -47.83 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 3.75 111.588 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.458 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 40.1 p -72.62 151.94 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.378 . . . . 2.36 111.522 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.431 ' HE2' HD13 ' A' ' 228' ' ' LEU . 4.9 mptp? -72.28 148.05 45.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 3.46 111.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.43 -21.11 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.866 -0.683 . . . . 2.2 112.39 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.515 ' CB ' HG22 ' A' ' 166' ' ' ILE . 59.1 mttp -109.08 177.15 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 3.33 111.115 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -160.93 169.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.83 -0.623 . . . . 2.27 110.516 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -153.65 140.34 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.723 0.297 . . . . 1.89 111.287 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -87.38 130.41 34.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.315 -0.402 . . . . 3.74 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -145.74 104.97 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.306 -0.406 . . . . 4.47 110.734 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 35.3 p -107.84 -172.91 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 4.59 111.403 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.49 56.83 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.566 . . . . 6.35 111.058 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 180' ' ' PRO . 68.4 t80 -93.86 150.99 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 4.67 110.673 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -114.11 85.44 10.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 3.92 111.243 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.578 ' HA ' HD13 ' A' ' 183' ' ' LEU . 14.9 Cg_exo -68.66 -8.05 22.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.617 2.211 . . . . 4.59 112.326 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.31 -36.93 83.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 8.64 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -71.41 -14.47 74.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.636 -0.793 . . . . 3.43 112.506 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 180' ' ' PRO . 6.7 mp -94.69 19.07 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.563 0.22 . . . . 5.71 110.987 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 pp -49.59 133.5 19.32 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.299 -0.409 . . . . 4.53 111.113 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.41 162.16 19.67 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.71 2.274 . . . . 3.71 112.557 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.8 -21.43 61.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 6.38 111.032 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.5 m 52.45 78.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 5.07 111.111 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.464 ' HB2' ' HG2' ' A' ' 212' ' ' LYS . 11.5 mt -150.77 -177.79 6.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 4.32 111.112 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.409 ' HB2' ' HD2' ' A' ' 259' ' ' PHE . 9.2 m-20 -54.39 166.76 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 3.78 110.796 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 258' ' ' SER . 36.9 p90 -166.75 139.99 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 3.36 110.67 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.623 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 43.6 p90 -76.81 152.15 35.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 4.16 110.761 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.1 t -135.12 170.52 15.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 1.5 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 208' ' ' TRP . 82.5 t80 -169.61 130.9 1.02 Allowed Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.041 -0.527 . . . . 2.91 110.372 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.03 127.57 26.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.198 1.932 . . . . 1.48 112.292 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.534 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -93.65 10.16 72.91 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.729 -0.748 . . . . 1.64 112.507 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 204' ' ' GLU . 79.2 p -113.72 -175.66 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.565 0.222 . . . . 2.75 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 96.7 mt 66.25 1.1 1.89 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.153 -0.476 . . . . 5.98 111.214 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 74.8 p -112.46 18.07 18.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.273 0.559 . . . . 5.3 110.025 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.481 HG21 ' HB2' ' A' ' 203' ' ' LEU . 0.8 OUTLIER -149.34 149.68 29.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.341 -0.845 . . . . 4.96 110.96 -179.494 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 201' ' ' PRO . 67.7 Cg_exo -39.78 152.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.776 2.317 . . . . 5.64 112.475 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 52.5 Cg_exo -54.63 84.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.66 2.24 . . . . 6.0 112.675 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.425 ' HG ' HD23 ' A' ' 203' ' ' LEU . 41.1 tp -173.74 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.102 -0.499 . . . . 5.41 110.911 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.481 ' HB2' HG21 ' A' ' 199' ' ' THR . 9.3 mt -95.28 42.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 5.02 110.83 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 196' ' ' SER . 47.0 mt-10 -91.84 20.28 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 3.98 110.807 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.19 15.83 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 2.48 110.446 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.71 132.46 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.748 -0.66 . . . . 1.8 110.985 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.534 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 27.7 m -113.59 149.18 34.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.541 -0.299 . . . . 1.27 110.88 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 208' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' TYR . 50.5 t-105 -111.26 108.76 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 2.43 110.854 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -131.78 155.44 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 1.45 110.891 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.41 HG21 ' NE1' ' A' ' 191' ' ' TRP . 35.3 m -128.35 145.49 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 2.12 111.292 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.54 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 29.1 tp -94.22 147.62 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 3.85 110.764 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 188' ' ' LEU . 22.8 tptm -66.59 -20.1 65.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 5.85 111.16 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.54 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 40.7 tt0 -57.08 110.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 5.91 110.674 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.99 130.31 4.86 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.543 2.162 . . . . 3.58 112.85 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 44.0 mm -130.91 120.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 4.42 110.365 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 60.0 m -136.9 151.37 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 3.53 111.305 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.48 155.29 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 2.45 110.602 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.509 ' HB3' ' HA ' ' A' ' 152' ' ' ALA . 92.4 p -89.89 148.45 23.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 3.39 110.738 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.413 ' O ' HG12 ' A' ' 222' ' ' VAL . 49.2 m -62.58 -15.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 2.82 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.42 -31.27 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 4.51 111.201 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -87.88 -15.34 36.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 3.92 112.013 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.424 HG13 HD22 ' A' ' 223' ' ' LEU . 14.5 p -74.11 -27.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 2.44 110.952 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 222' ' ' VAL . 4.2 mm? -65.04 -22.12 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 2.8 110.434 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -84.72 -31.72 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 3.78 110.754 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -71.8 -24.06 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 3.33 110.841 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -84.63 -1.08 55.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.992 -0.549 . . . . 4.82 111.062 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.103 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.431 HD13 ' HE2' ' A' ' 169' ' ' LYS . 4.2 pp -74.93 162.03 28.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 2.93 110.796 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -109.07 160.95 15.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 2.92 110.979 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.563 ' HB3' ' HB3' ' A' ' 238' ' ' GLU . 64.8 t80 -53.15 -47.56 68.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.837 0.351 . . . . 5.3 110.446 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -125.09 47.89 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 4.3 110.805 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 232' ' ' GLY . . . . . 0.458 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . 60.75 178.88 2.29 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.095 -0.574 . . . . 4.09 113.219 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -86.35 157.3 19.91 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.859 0.361 . . . . 7.57 111.178 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 87.44 9.18 72.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 6.31 112.099 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 236' ' ' PRO . 10.2 mm-40 -120.44 164.49 22.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.533 -0.173 . . . . 5.7 110.533 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 236' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 235' ' ' GLU . 83.6 Cg_exo -48.37 163.16 0.27 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.338 2.025 . . . . 6.54 112.143 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.0 90.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 6.78 110.99 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 238' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 230' ' ' PHE . 21.5 mm-40 -110.28 118.78 37.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 5.03 110.709 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.3 mp -79.05 120.02 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 5.11 111.306 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 15.6 ptm -62.25 -26.05 68.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 5.21 110.816 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 34.3 m -88.96 -171.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.559 -0.746 . . . . 3.44 111.141 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 241' ' ' VAL . 25.5 t70 78.73 33.98 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.979 -0.555 . . . . 3.67 110.598 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.406 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 2.2 m-20 -112.0 39.59 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.651 -0.704 . . . . 3.74 110.364 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -106.01 150.95 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.684 . . . . 3.25 110.968 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 25.3 mmm180 -123.52 128.39 25.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.954 -0.566 . . . . 3.78 110.705 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 21.5 Cg_exo -66.23 143.11 69.64 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.563 2.175 . . . . 2.43 112.461 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -99.11 173.51 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 3.18 110.916 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 248' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 12.1 pt20 -136.31 137.61 24.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.373 -0.376 . . . . 5.35 111.047 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 13.3 Cg_exo -69.53 125.8 12.7 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.681 2.254 . . . . 4.02 112.245 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 250' ' ' LEU . 0.3 OUTLIER -80.08 -41.87 24.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 3.94 111.139 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 56.38 21.22 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 6.83 109.952 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.15 -174.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.551 -0.75 . . . . 5.02 110.753 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -71.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 5.82 110.945 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -133.32 154.4 50.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 3.22 110.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.64 HG22 HG23 ' A' ' 37' ' ' THR . 17.7 tt -111.93 131.65 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 2.02 111.04 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -70.25 118.73 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 2.91 110.739 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -150.78 140.72 21.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 1.46 111.224 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.9 t -79.3 -8.05 58.76 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.143 0.497 . . . . 2.32 109.987 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.409 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 88.6 t80 -111.71 137.84 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.452 -0.795 . . . . 3.3 110.478 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.384 -0.817 . . . . 4.59 111.2 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.444 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.851 0.358 . . . . 32.91 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 56.19 71.19 0.58 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.059 -0.519 . . . . 30.03 111.036 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -140.92 144.53 35.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 29.61 110.718 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -95.46 90.46 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 26.81 110.966 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -96.44 154.42 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 25.62 110.798 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.67 -9.07 47.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 23.39 112.44 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -84.5 -59.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 23.38 110.839 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.93 23.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.812 -0.709 . . . . 19.99 112.492 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -78.26 -46.33 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 19.34 110.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -92.75 -21.56 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 18.14 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -91.32 10.33 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 18.74 110.817 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.9 173.4 19.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 16.42 112.404 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.86 157.07 63.41 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.412 2.075 . . . . 15.7 112.28 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -163.54 -27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 15.32 110.71 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -65.72 99.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 15.63 111.09 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -61.06 -25.53 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 11.72 111.168 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.497 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 18.2 p-80 -80.46 -23.12 40.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.473 . . . . 12.77 111.524 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -77.28 -19.92 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 15.94 111.288 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.0 -54.71 2.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.74 0.305 . . . . 12.96 111.265 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.36 147.14 32.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.36 . . . . 10.55 111.05 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.96 42.94 1.29 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.641 2.227 . . . . 9.69 112.484 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.0 mm -73.47 -54.7 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 8.17 110.988 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' HIS . . . -87.93 -36.94 16.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.09 -0.504 . . . . 9.4 111.186 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' A' ' 17' ' ' HIS . 99.1 mttt -84.37 6.91 21.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.351 -0.386 . . . . 13.28 110.905 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.94 79.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 8.88 112.391 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -165.98 43.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.428 . . . . 8.92 110.688 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.84 -23.67 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 9.6 110.371 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.519 ' HA ' HG21 ' A' ' 198' ' ' THR . 86.9 mt-30 46.41 82.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 6.33 111.349 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -127.61 143.54 47.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.438 -0.346 . . . . 3.57 111.094 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.88 156.66 52.45 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.645 2.23 . . . . 2.88 111.916 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 32' ' ' ASP . 27.0 t -117.75 157.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 2.26 110.549 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.9 m-20 -93.97 98.56 11.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 2.44 110.508 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' HB ' HG12 ' A' ' 109' ' ' VAL . 4.4 mp -96.93 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 1.53 111.105 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 37' ' ' THR . 5.3 m-20 -109.85 129.24 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.51 111.09 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.7 m -76.69 -19.94 57.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 1.95 110.538 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -67.01 -40.59 87.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.793 -0.64 . . . . 3.43 110.824 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.47 -10.2 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 1.73 111.132 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.09 155.88 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.102 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -147.12 149.99 34.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 3.53 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 257' ' ' ALA . 35.1 p90 -93.7 138.9 31.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 4.17 110.906 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.71 94.01 33.11 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 3.04 110.984 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -78.51 34.98 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.487 2.125 . . . . 2.3 112.457 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -65.86 -45.33 82.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.374 -0.376 . . . . 3.07 111.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.52 154.68 41.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 3.08 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -107.49 126.05 30.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 4.28 110.817 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.99 129.89 11.84 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.024 . . . . 2.41 112.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.73 -61.7 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 5.24 111.03 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.429 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 35.5 t -135.73 151.01 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 2.67 111.022 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG13 ' HB3' ' A' ' 52' ' ' ASP . 10.2 p -106.92 143.38 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.714 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -90.84 151.76 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 2.58 111.713 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' H ' ' HA ' ' A' ' 77' ' ' ALA . 22.5 t80 63.34 43.25 6.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.635 -0.711 . . . . 4.87 110.855 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' HB3' HG13 ' A' ' 49' ' ' VAL . 7.2 p-10 -92.23 -30.06 16.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.786 -0.643 . . . . 4.17 110.133 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -145.72 23.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 4.62 110.914 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.42 144.28 51.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.42 -0.355 . . . . 1.97 111.115 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 178' ' ' PHE . 94.7 m -143.48 138.54 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.9 111.308 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -90.12 144.47 25.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.026 -0.534 . . . . 1.87 110.762 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.22 -36.12 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 3.58 111.144 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -158.84 143.83 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.265 -0.425 . . . . 4.62 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.3 pt -127.15 127.56 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.72 110.913 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' HB2' ' A' ' 172' ' ' SER . 5.2 mp -113.31 155.16 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 2.58 111.358 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.446 HD21 ' HB ' ' A' ' 166' ' ' ILE . 2.5 m-20 -109.85 151.18 27.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.94 110.582 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.27 23.37 14.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.952 0.353 . . . . 3.13 111.952 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.8 14.45 82.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.381 -0.914 . . . . 2.64 112.555 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -172.12 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 4.34 110.437 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.98 141.88 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.586 . . . . 2.12 110.685 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -125.06 153.61 42.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 3.39 111.038 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.71 152.98 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 2.57 110.431 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.6 m -95.82 135.63 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 1.95 111.237 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.05 141.52 50.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.813 0.34 . . . . 3.84 110.968 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -102.2 145.52 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 4.12 110.767 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.7 152.07 32.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 3.04 110.648 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.75 3.92 49.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 3.88 111.5 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 3.2 110.553 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -128.63 -174.55 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.836 -0.62 . . . . 4.06 110.405 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.21 -26.92 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 2.84 110.768 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 60.17 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.967 -0.561 . . . . 3.26 111.661 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HA ' ' H ' ' A' ' 51' ' ' TYR . . . -102.26 123.57 46.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 1.42 111.193 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 89' ' ' ARG . 16.6 m -142.03 127.87 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 1.72 111.183 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.5 tp -114.01 134.13 55.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.38 -0.373 . . . . 2.3 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 48' ' ' SER . 97.1 mttt -128.28 169.24 14.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 2.67 110.493 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.35 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 2.5 112.432 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.26 -150.96 18.73 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.563 -0.827 . . . . 2.63 112.067 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.19 86.01 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.238 1.959 . . . . 4.13 111.406 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.0 tp -53.23 114.6 1.53 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.115 -0.493 . . . . 3.0 111.451 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -134.4 26.6 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 5.04 109.991 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.29 104.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.723 -0.671 . . . . 1.92 111.987 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -57.23 147.63 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 1.68 111.495 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -97.76 117.21 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 3.43 110.684 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HG2' HG12 ' A' ' 78' ' ' VAL . 73.4 mtt180 -100.37 134.52 43.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 3.79 111.049 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 8.4 mp -83.14 130.28 35.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 2.52 110.479 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.527 HG13 ' H ' ' A' ' 92' ' ' GLN . 1.6 pt -96.77 -62.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 2.47 111.875 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.527 ' H ' HG13 ' A' ' 91' ' ' ILE . 10.0 pt20 -156.91 155.02 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.856 0.36 . . . . 2.41 111.529 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 38.9 p90 -153.82 147.17 24.85 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.955 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.541 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.0 p-80 -114.95 165.66 12.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 1.29 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -111.42 163.7 13.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.974 0.416 . . . . 3.19 111.417 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -123.79 152.62 42.02 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.888 -0.596 . . . . 1.68 110.554 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.519 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 22.7 m-90 -140.41 103.26 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 5.75 111.221 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.36 172.69 55.12 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 3.04 112.484 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.556 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 33.0 t -75.73 -33.38 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 4.29 110.652 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.68 135.49 52.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 5.2 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.81 7.03 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 5.33 110.757 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.6 -22.24 6.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 4.18 112.171 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -157.38 169.19 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 4.67 110.933 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.454 ' H ' ' HE3' ' A' ' 113' ' ' LYS . . . 102.02 48.3 1.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.86 -0.686 . . . . 1.95 112.319 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.597 ' H ' ' HE3' ' A' ' 113' ' ' LYS . 41.2 t -101.64 -77.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 2.04 111.341 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.48 -25.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 2.64 110.616 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 248' ' ' GLN . 14.0 p80 -157.07 176.45 12.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 2.11 110.321 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.0 p -129.78 100.39 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 1.88 111.659 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.493 HG12 ' HB ' ' A' ' 33' ' ' ILE . 24.2 m -98.03 147.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.332 -0.394 . . . . 2.24 110.778 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.9 t70 54.35 33.14 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.452 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 62.65 25.22 15.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.853 -0.612 . . . . 3.37 111.135 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -134.86 155.38 50.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 3.86 110.802 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.597 ' HE3' ' H ' ' A' ' 105' ' ' SER . 45.0 tttp -122.71 148.85 44.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 2.57 110.439 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -91.96 166.72 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.884 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 148' ' ' LYS . . . -73.82 -43.91 57.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.278 . . . . 1.72 111.091 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.13 177.28 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.424 . . . . 1.55 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 44.3 mt-10 -150.73 136.58 18.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.486 -0.324 . . . . 2.4 110.918 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.801 HD21 ' HB ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -86.74 147.99 25.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 2.07 110.616 179.21 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.541 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.6 m170 -96.14 121.87 38.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.133 -0.485 . . . . 1.71 111.321 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 5.1 mp -114.52 105.28 12.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 2.51 110.985 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 114.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 1.83 111.205 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -131.78 136.85 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 2.43 110.963 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -106.29 152.97 22.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.945 0.403 . . . . 3.95 110.794 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.452 HD21 ' HB3' ' A' ' 126' ' ' LYS . 52.8 t30 -68.71 117.12 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 2.19 111.169 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.481 HG21 ' HD2' ' A' ' 89' ' ' ARG . 80.8 p -79.33 -14.43 58.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.859 -0.61 . . . . 1.77 111.418 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.452 ' HB3' HD21 ' A' ' 124' ' ' ASN . 28.6 tptp -51.34 -35.86 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 3.65 111.154 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -78.08 -27.19 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 4.38 110.832 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.64 85.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 2.22 112.537 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -140.09 142.08 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.375 . . . . 3.07 110.82 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -73.45 -24.97 60.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 3.08 111.08 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.89 -21.98 78.87 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.921 -0.657 . . . . 2.36 112.185 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -83.92 -42.64 16.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 3.63 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.31 94.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.73 110.723 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.74 -22.4 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 2.3 111.246 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -72.47 -24.44 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 3.84 110.782 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -102.8 126.01 33.93 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.22 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.88 -29.86 88.93 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.49 2.127 . . . . 2.44 112.296 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.18 22.34 16.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 2.64 110.644 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -100.41 -16.05 28.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 1.49 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.6 pt? -134.27 133.65 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 1.76 110.801 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.67 149.25 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.98 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.68 118.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 1.3 111.071 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 120' ' ' LEU . 52.1 mt -85.97 144.17 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 2.1 110.547 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 210' ' ' VAL . . . -134.05 117.28 1.81 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.645 -0.788 . . . . 1.4 112.719 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.801 ' HB ' HD21 ' A' ' 118' ' ' LEU . 10.8 mt -115.77 135.06 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.379 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.577 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 29.5 m-85 -69.51 152.88 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 4.48 110.95 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 118' ' ' LEU . 77.5 mt -137.76 71.96 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 3.25 110.633 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 60.6 pttt -112.36 143.11 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 4.32 110.622 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 217' ' ' VAL . 11.7 m -56.34 122.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.279 -0.419 . . . . 3.13 111.431 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.9 153.03 18.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.592 . . . . 3.15 112.051 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.6 t 60.49 94.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 3.85 110.627 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.05 3.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 3.82 111.458 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 157' ' ' GLN . 25.5 ttpp -59.09 116.77 17.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 5.19 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -61.18 -18.03 55.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.49 2.127 . . . . 3.09 112.236 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.477 ' H ' ' HG2' ' A' ' 153' ' ' LYS . . . 122.33 61.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.921 -0.657 . . . . 2.71 112.291 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.3 tp -145.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 3.94 110.682 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.505 ' HB3' ' HE2' ' A' ' 153' ' ' LYS . 10.8 pt20 -62.36 -31.74 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 3.55 111.351 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.63 -36.22 56.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 4.82 111.291 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.55 -27.76 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 3.12 111.282 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.485 HG12 HD23 ' A' ' 163' ' ' LEU . 62.0 t -66.15 -24.78 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 3.14 111.189 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.85 -19.34 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 3.01 111.356 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.8 -17.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 2.46 111.718 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.485 HD23 HG12 ' A' ' 160' ' ' VAL . 4.0 pp -61.57 -24.67 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 2.31 111.021 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.56 -12.57 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.495 . . . . 2.42 110.9 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.0 m -65.89 -26.15 67.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 1.85 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.446 ' HB ' HD21 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -125.66 48.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 2.44 110.547 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -52.03 -47.21 65.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.73 -0.668 . . . . 3.75 111.322 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.0 p -117.69 149.41 40.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 2.36 111.279 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -79.17 146.21 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.507 . . . . 3.46 110.654 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 105.99 -17.03 42.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.871 -0.681 . . . . 2.2 112.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -109.59 149.69 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 3.33 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.456 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 86.6 p -103.58 165.04 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 2.27 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -152.9 140.24 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.89 111.099 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.0 129.46 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 3.74 110.762 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -139.93 109.25 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 4.47 111.044 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.9 t -136.46 179.6 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.04 -0.527 . . . . 4.59 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 48.0 t30 62.73 57.17 1.81 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.962 0.41 . . . . 6.35 111.255 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' PHE . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 70.8 t80 -90.92 145.24 24.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 4.67 110.571 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.04 81.28 4.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 3.92 111.092 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.57 -10.1 15.92 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.53 2.153 . . . . 4.59 112.36 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.95 -20.07 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 8.64 110.818 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -90.6 -31.36 10.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 3.43 112.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.67 18.53 11.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.539 0.209 . . . . 5.71 111.294 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.25 139.51 91.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.662 -0.244 . . . . 4.53 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.32 131.8 6.77 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.521 2.147 . . . . 3.71 112.324 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.92 -7.4 59.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 6.38 110.906 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.0 m 59.94 32.02 20.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 5.07 110.932 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 188' ' ' LEU . 2.6 pt? -57.21 -30.46 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 4.32 111.125 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.556 ' HA ' ' HA ' ' A' ' 259' ' ' PHE . 3.3 p30 -150.82 149.46 29.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.444 -0.344 . . . . 3.78 110.964 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -140.5 140.35 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 3.36 110.728 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 257' ' ' ALA . 28.2 m95 -133.18 142.16 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 4.16 110.455 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 257' ' ' ALA . 8.8 t -153.16 139.9 18.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.859 0.361 . . . . 1.5 111.453 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -158.38 73.11 3.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 2.91 110.704 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.484 ' HA ' HG23 ' A' ' 207' ' ' THR . 10.9 Cg_endo -54.06 147.93 41.6 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.869 2.379 . . . . 1.48 112.836 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 174.3 -119.4 0.73 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.87 -0.681 . . . . 1.64 112.298 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.564 ' HA ' HG23 ' A' ' 206' ' ' VAL . 85.3 p -155.66 -172.63 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.651 0.262 . . . . 2.75 110.699 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.573 ' HG ' HG21 ' A' ' 206' ' ' VAL . 86.5 mt -67.3 -175.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.521 -0.309 . . . . 5.98 110.872 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' THR . . . . . 0.589 HG23 HG22 ' A' ' 199' ' ' THR . 5.8 t -54.05 -27.26 31.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.974 0.416 . . . . 5.3 110.766 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 198' ' ' THR . 2.4 t -142.62 118.47 6.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 4.96 110.768 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.7 123.64 13.06 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.077 1.851 . . . . 5.64 111.979 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.44 -41.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.451 2.101 . . . . 6.0 111.829 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 28.5 tp -171.09 -53.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.64 . . . . 5.41 110.435 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.09 158.7 22.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.891 -0.595 . . . . 5.02 111.098 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.84 41.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 3.98 109.898 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -68.82 -2.06 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.738 -0.664 . . . . 2.48 111.089 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' VAL . . . . . 0.573 HG21 ' HG ' ' A' ' 197' ' ' LEU . 2.7 m -112.43 111.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 1.8 111.06 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.484 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.8 m -112.97 130.05 56.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 1.27 110.813 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -109.69 111.89 23.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 2.43 110.741 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -130.85 134.96 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 1.45 110.88 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 35.9 t -76.09 106.89 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 2.12 111.29 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 145' ' ' ILE . 29.0 tp -62.76 161.63 12.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 3.85 110.625 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -77.5 -6.82 54.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 5.85 111.818 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 14.4 mm-40 -58.07 154.62 28.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.625 0.25 . . . . 5.91 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 164.22 33.58 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.708 2.272 . . . . 3.58 112.579 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' A' ' 146' ' ' PHE . 47.8 pt -84.54 171.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.545 . . . . 4.42 111.246 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 36.9 t -58.3 173.04 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 3.53 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 149' ' ' VAL . 33.4 m -99.48 173.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 2.45 111.13 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 69.5 m -62.43 161.5 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 3.39 111.233 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.2 p -63.42 -13.32 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 2.82 110.79 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.83 -43.18 90.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 4.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -81.31 -19.8 42.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 3.92 110.422 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.92 -17.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 2.44 110.398 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.55 -20.08 59.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 2.8 110.371 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 3.0 mptp? -85.43 -27.75 25.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 3.78 111.007 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.72 11.75 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 3.33 111.191 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -74.88 -26.95 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 4.82 111.233 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' A' ' 163' ' ' LEU . 7.9 ptpp? -69.1 -4.97 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 3.25 111.16 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.62 160.4 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 2.93 110.62 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -95.95 164.34 12.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 2.92 111.058 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 47.3 p90 -97.63 3.56 50.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 5.3 110.925 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -161.84 -51.77 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 4.3 111.045 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 177.61 -177.71 48.34 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.569 -0.824 . . . . 4.09 112.722 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.26 157.24 6.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.903 0.382 . . . . 7.57 110.983 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 85.98 -0.71 87.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.819 -0.705 . . . . 6.31 112.091 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.03 148.97 37.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.361 0.124 . . . . 5.7 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.65 162.45 6.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.428 2.085 . . . . 6.54 112.068 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.63 87.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 6.78 110.873 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -142.66 115.61 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 5.03 110.83 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? -59.25 143.97 47.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 5.11 110.904 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.403 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 53.8 ttp -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.228 -0.442 . . . . 5.21 110.62 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 17.2 m -141.41 -178.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 3.44 111.511 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 63.56 35.83 11.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.835 -0.62 . . . . 3.67 110.895 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.519 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 18.5 m120 -100.84 55.33 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 3.74 111.154 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -110.87 137.75 48.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 3.25 110.741 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -135.44 97.5 13.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 3.78 111.351 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.88 138.31 62.48 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.602 2.201 . . . . 2.43 111.959 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 247' ' ' ALA . . . . . 0.478 ' HA ' ' HB ' ' A' ' 198' ' ' THR . . . -167.16 40.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.341 -0.391 . . . . 3.18 111.383 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 248' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 57.1 tp60 -90.46 117.36 67.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.476 -0.329 . . . . 5.35 111.247 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 197' ' ' LEU . 86.8 Cg_endo -78.45 140.9 17.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.523 2.149 . . . . 4.02 112.448 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 37.7 tp -79.94 -8.61 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 3.94 110.638 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.69 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.536 . . . . 6.83 111.489 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -59.29 147.81 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 5.02 111.044 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -140.19 -58.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.021 -0.536 . . . . 5.82 110.683 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -105.94 117.37 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 3.22 110.478 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.499 HG22 ' H ' ' A' ' 257' ' ' ALA . 19.2 mm -64.01 145.61 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 2.02 111.033 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -93.44 19.2 8.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 2.91 111.261 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -164.44 167.69 19.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 1.46 111.326 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 50.2 m -158.23 -49.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 2.32 110.648 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 189' ' ' ASP . 97.3 m-85 -132.72 175.67 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.944 -0.571 . . . . 3.3 110.889 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.137 -0.935 . . . . 4.59 110.933 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.442 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.89 0.376 . . . . 32.91 110.709 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -142.2 -12.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 30.03 110.903 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -147.45 154.41 40.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 29.61 111.038 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -160.08 146.68 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 26.81 110.914 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -134.07 151.82 51.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 25.62 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.93 -66.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.921 -0.657 . . . . 23.39 112.278 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -140.43 -179.75 6.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 23.38 110.609 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.15 35.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.679 -0.772 . . . . 19.99 112.566 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -72.26 -40.98 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.893 0.377 . . . . 19.34 110.634 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -67.74 -23.06 65.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 18.14 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.46 -7.67 46.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 18.74 110.992 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.72 -168.0 39.46 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.781 -0.723 . . . . 16.42 112.623 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.06 150.69 87.92 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.626 2.217 . . . . 15.7 112.447 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -142.35 83.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 15.32 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -145.49 54.23 1.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 15.63 111.063 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -64.28 -12.29 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.518 . . . . 11.72 110.788 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -82.1 -32.53 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 12.77 111.017 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.89 20.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 15.94 111.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.8 -62.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 12.96 110.542 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 22' ' ' ILE . 10.2 p90 -139.76 143.7 35.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 10.55 110.8 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HG2' ' SG ' ' A' ' 205' ' ' CYS . 73.3 Cg_endo -75.56 2.46 6.88 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.529 2.153 . . . . 9.69 112.149 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.62 HG13 ' H ' ' A' ' 204' ' ' GLU . 1.7 mp -65.92 -39.26 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 8.17 110.332 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.28 64.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 9.4 110.643 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -92.1 -12.93 31.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.032 -0.531 . . . . 13.28 110.711 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 113.82 6.23 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.738 -0.744 . . . . 8.88 112.185 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -132.33 25.26 4.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.92 0.391 . . . . 8.92 110.786 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -110.09 7.97 23.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 9.6 110.639 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -72.13 95.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 6.33 111.059 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -162.49 78.64 1.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 3.57 110.831 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.32 128.91 30.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.471 2.114 . . . . 2.88 111.977 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.1 p -123.99 176.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 2.26 110.938 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' VAL . 14.7 m-20 -82.27 98.73 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 2.44 110.136 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.2 mp -60.18 118.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 1.53 111.287 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.8 m-20 -108.3 129.34 55.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.51 110.829 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 m -79.82 -23.46 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.809 -0.632 . . . . 1.95 111.143 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -79.27 -36.58 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 3.43 111.163 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 34' ' ' ASP . 5.5 t -76.61 -22.03 54.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 1.73 110.999 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HA ' HE22 ' A' ' 254' ' ' GLN . . . -55.26 149.08 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 1.29 111.016 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.22 143.7 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 3.53 110.84 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.478 ' N ' ' HA ' ' A' ' 260' ' ' LYS . 40.4 p90 -69.59 131.99 45.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 4.17 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -129.98 90.81 41.44 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 3.04 111.082 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -84.33 44.09 1.46 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.534 2.156 . . . . 2.3 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -85.77 -43.05 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 3.07 111.045 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 mt -136.92 114.92 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 3.08 110.985 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -100.22 140.42 21.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 4.28 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.85 125.86 17.02 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.486 2.124 . . . . 2.41 112.048 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 52.4 tp -80.61 -61.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.24 111.291 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -134.52 148.53 50.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 2.67 111.295 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -146.06 113.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.795 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 t -107.14 111.11 23.39 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.479 -0.328 . . . . 2.58 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 81.7 m-85 60.66 113.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.025 0.44 . . . . 4.87 111.296 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.68 -9.91 59.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 4.17 110.806 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -147.35 126.29 12.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 4.62 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.33 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 1.97 111.018 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -90.37 141.89 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 1.9 111.088 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 99.4 p -99.69 159.63 14.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 1.87 111.038 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -124.79 -39.24 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 3.58 111.282 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -165.64 146.59 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 4.62 110.884 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mp -109.88 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 1.72 110.78 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 tp -112.01 150.57 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.58 110.962 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.88 162.91 15.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 1.94 111.026 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.463 HD21 ' HB3' ' A' ' 65' ' ' ALA . 32.2 p30 -106.63 12.18 29.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 3.13 111.294 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.24 26.93 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.571 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' N ' ' HG2' ' A' ' 169' ' ' LYS . 78.2 t60 -176.72 -54.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 4.34 110.582 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 62' ' ' ASN . . . -89.97 162.25 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 2.12 110.711 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -140.56 133.87 29.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 3.39 111.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -133.36 153.27 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 2.57 110.267 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.597 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.9 t -97.0 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 1.95 111.334 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -70.48 141.5 52.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 3.84 111.123 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.34 152.51 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 4.12 110.674 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.46 146.6 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 3.04 111.007 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.79 26.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 3.88 111.098 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 t -88.49 -44.89 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 3.2 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 76' ' ' LYS . 23.6 pt20 -168.93 -174.72 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 4.06 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.14 -18.53 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 2.84 110.717 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 74' ' ' GLN . 73.7 mmtt 64.56 -81.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.692 -0.686 . . . . 3.26 111.717 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 51' ' ' TYR . . . -111.9 120.31 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 1.42 111.844 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.99 136.33 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 1.72 110.507 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 90' ' ' LEU . 7.2 mp -118.14 131.23 56.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.102 0.477 . . . . 2.3 111.656 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HA ' HD23 ' A' ' 84' ' ' LEU . 53.4 pttt -159.69 128.93 5.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.802 -0.636 . . . . 2.67 110.542 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . -170.71 -154.84 9.88 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.224 -0.989 . . . . 2.5 113.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.49 -63.08 2.29 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.994 -0.622 . . . . 2.63 113.015 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.92 -11.62 10.22 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.546 2.164 . . . . 4.13 112.402 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 80' ' ' LYS . 14.3 tp -91.8 150.3 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 3.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -83.64 12.64 5.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 5.04 111.665 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.75 -141.01 8.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.498 -0.858 . . . . 1.92 112.835 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -119.82 116.1 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.803 0.335 . . . . 1.68 110.962 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.443 ' HB3' ' ND1' ' A' ' 122' ' ' HIS . 71.0 m-85 -112.45 128.69 56.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.295 -0.411 . . . . 3.43 110.887 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -103.53 124.84 49.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 3.79 111.268 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 122' ' ' HIS . 4.7 mp -84.36 143.06 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 2.52 110.061 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.72 -45.04 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.565 0.58 . . . . 2.47 112.565 -179.011 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' N ' HG12 ' A' ' 91' ' ' ILE . 13.9 pt20 -151.23 161.91 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 2.41 111.691 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.736 ' HB3' HD13 ' A' ' 120' ' ' LEU . 10.2 p90 -142.79 174.99 10.16 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.993 -0.548 . . . . 1.57 110.502 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -145.83 169.41 18.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 1.29 111.004 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -109.97 148.95 30.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.313 -0.403 . . . . 3.19 110.913 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -110.87 123.96 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.058 -0.519 . . . . 1.68 110.68 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -122.04 120.4 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 5.75 110.765 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.0 -176.24 17.42 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.704 -0.76 . . . . 3.04 112.465 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -82.75 -25.79 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 4.29 110.963 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.18 146.19 24.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 5.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.45 16.67 5.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.182 -0.463 . . . . 5.33 111.014 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.57 -40.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 4.18 112.355 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -163.33 162.02 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 4.67 111.029 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.465 ' HA2' ' HD3' ' A' ' 113' ' ' LYS . . . 136.57 75.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.817 -0.706 . . . . 1.95 112.575 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.7 p -87.68 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 2.04 110.656 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 179.55 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.906 -0.588 . . . . 2.64 110.213 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -105.1 166.76 10.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.025 -0.534 . . . . 2.11 109.973 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 113' ' ' LYS . 63.8 p -112.12 119.17 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 1.88 111.598 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.55 135.24 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 2.24 110.372 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.9 t70 53.61 40.48 31.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.072 0.463 . . . . 2.18 110.11 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 58.7 25.2 13.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.824 -0.626 . . . . 3.37 111.306 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -129.54 150.0 51.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 3.86 111.082 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HB2' HG22 ' A' ' 108' ' ' THR . 22.5 ttmm -127.3 150.87 49.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 2.57 110.788 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -113.96 175.44 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 2.18 110.685 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.64 -47.43 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.72 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.08 162.47 35.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.574 . . . . 1.55 110.719 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.57 152.54 31.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 2.4 111.129 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.3 mt -86.42 148.12 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 2.07 110.747 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -132.13 95.52 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 1.71 110.738 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 93' ' ' PHE . 4.2 mm? -79.34 122.13 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 2.51 110.781 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.82 114.44 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 1.83 111.086 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . 19.1 p80 -131.85 -178.28 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.036 -0.529 . . . . 2.43 110.573 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -174.23 152.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 3.95 110.925 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.2 124.79 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.619 . . . . 2.19 110.923 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -71.49 -14.52 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.641 . . . . 1.77 110.903 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -58.47 -25.69 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 3.65 110.879 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.05 -27.91 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 4.38 110.805 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.85 -30.66 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.858 -0.687 . . . . 2.22 112.553 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -153.66 151.56 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 3.07 110.837 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -63.67 -19.66 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 3.08 111.199 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.79 -42.63 99.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 2.36 112.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.34 -17.36 30.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 3.63 110.511 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.32 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 1.73 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.85 -6.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 2.3 111.438 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -72.3 -12.25 61.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 3.84 110.708 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.431 ' HG3' ' HD2' ' A' ' 137' ' ' PRO . 33.5 tt0 -132.01 139.91 36.5 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.135 -0.484 . . . . 3.22 110.98 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.431 ' HD2' ' HG3' ' A' ' 136' ' ' GLN . 51.1 Cg_exo -52.69 -51.77 10.37 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.27 1.98 . . . . 2.44 112.118 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -90.33 15.47 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 2.64 110.648 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.56 -47.12 92.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.811 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -127.39 133.52 50.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 1.76 111.169 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.56 157.03 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.98 110.815 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.75 130.89 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 1.3 111.455 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' A' ' 211' ' ' LEU . 54.5 tp -85.77 131.24 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 2.1 110.433 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 129.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.622 -0.799 . . . . 1.4 113.013 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 64.0 mt -122.81 132.87 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.689 0.28 . . . . 1.53 110.421 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.69 116.68 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 4.48 111.218 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.473 HD11 ' HG ' ' A' ' 118' ' ' LEU . 84.5 mt -84.77 143.15 29.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 3.25 110.685 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.427 ' H ' ' HA ' ' A' ' 216' ' ' SER . 61.2 tttp -112.49 134.6 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 4.32 110.719 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 133.17 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.403 . . . . 3.13 111.211 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 145.6 53.68 0.02 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.484 -0.865 . . . . 3.15 113.049 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 t 57.21 94.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.887 0.375 . . . . 3.85 111.39 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -82.87 -73.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 3.82 111.235 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -111.49 154.41 43.82 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.269 -0.423 . . . . 5.19 111.097 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.71 -0.1 8.61 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.531 2.154 . . . . 3.09 111.887 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -119.5 23.65 8.37 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.299 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 221' ' ' GLN . 2.5 pt? -56.52 -15.03 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.708 0.289 . . . . 3.94 111.405 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -54.37 -40.57 68.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 3.55 111.433 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -58.74 -31.16 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 4.82 110.927 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 80.1 t -79.71 -29.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 3.12 111.223 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.53 -29.94 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 3.14 111.057 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -74.39 -33.4 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 3.01 110.728 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.415 HG21 ' HB ' ' A' ' 176' ' ' THR . 38.8 t -61.86 -28.37 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.46 110.846 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 164' ' ' ASP . 0.3 OUTLIER -75.93 -41.97 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 2.31 111.21 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.432 ' N ' HD23 ' A' ' 163' ' ' LEU . 30.3 t70 -54.04 -17.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 2.42 110.68 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 51.5 m -85.84 -43.34 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 1.85 110.687 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 173' ' ' ALA . 8.6 pt -96.36 43.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 2.44 111.537 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.75 -43.62 94.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 3.75 110.682 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 39.3 p -129.85 158.61 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 2.36 111.117 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -63.65 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 3.46 110.998 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.36 -20.98 20.39 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.828 -0.701 . . . . 2.2 112.819 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -109.19 141.54 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 3.33 110.995 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 89.1 p -101.3 149.89 23.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 2.27 111.093 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -105.51 176.75 5.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 1.89 110.918 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.81 157.65 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 3.74 111.045 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -52.22 137.29 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 4.47 111.082 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 162' ' ' VAL . 15.4 t -141.65 -172.95 3.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 4.59 110.727 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 54.98 52.74 11.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.446 -0.343 . . . . 6.35 111.008 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -109.0 109.46 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 4.67 110.76 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.27 85.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 3.92 111.061 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.32 -8.74 15.36 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.452 2.101 . . . . 4.59 112.162 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -74.52 -26.23 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.72 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -81.88 3.68 78.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 3.43 112.837 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.51 11.06 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 5.71 110.943 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 185' ' ' PRO . 33.0 tp -82.79 123.65 77.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 4.53 110.744 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.587 ' HD2' HD12 ' A' ' 184' ' ' LEU . 57.8 Cg_endo -71.23 131.14 18.63 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.233 1.956 . . . . 3.71 112.169 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.55 -7.37 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 6.38 111.14 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 56.0 m 59.18 21.98 10.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.072 -0.513 . . . . 5.07 111.16 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.43 ' H ' ' HD2' ' A' ' 212' ' ' LYS . 22.3 tp -83.51 155.04 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 4.32 110.697 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 259' ' ' PHE . 11.2 m-20 -92.25 150.35 20.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.776 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.44 ' N ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.68 145.1 3.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 3.36 110.907 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.478 ' HB2' ' N ' ' A' ' 258' ' ' SER . 0.1 OUTLIER -126.19 175.99 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 4.16 110.406 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.9 t -118.88 142.86 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 1.5 111.426 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -115.9 103.46 53.5 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 2.91 110.672 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 207' ' ' THR . 56.1 Cg_endo -68.48 131.17 22.49 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.407 2.071 . . . . 1.48 112.262 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.36 -148.81 5.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.647 -0.787 . . . . 1.64 112.739 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 58.4 p -156.5 147.93 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 2.75 110.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.97 165.14 25.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.943 0.401 . . . . 5.98 111.274 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 2.1 m -88.18 23.52 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 5.3 110.368 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 67.7 p -89.46 160.43 42.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 4.96 111.01 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 1.1 Cg_endo -43.29 154.68 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.874 2.383 . . . . 5.64 112.506 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -60.77 96.08 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.669 2.246 . . . . 6.0 112.423 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.465 ' HB3' HD23 ' A' ' 203' ' ' LEU . 61.1 tp -172.66 -32.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 5.41 111.08 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 202' ' ' LEU . 0.4 OUTLIER -132.76 68.14 1.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 5.02 110.975 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.62 ' H ' HG13 ' A' ' 22' ' ' ILE . 49.1 mt-10 -106.31 16.79 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.079 -0.51 . . . . 3.98 110.814 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 205' ' ' CYS . . . . . 0.42 ' SG ' ' HG2' ' A' ' 21' ' ' PRO . 72.0 m -106.51 41.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 2.48 109.987 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.12 129.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 1.8 111.469 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 194' ' ' PRO . 18.1 m -111.94 146.04 38.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.637 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -107.94 126.14 52.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.949 0.404 . . . . 2.43 111.285 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.7 mp -124.55 146.78 29.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.94 -0.573 . . . . 1.45 110.855 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.25 131.55 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 2.12 111.133 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 143' ' ' LEU . 75.7 mt -79.96 170.31 16.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 3.85 110.917 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 188' ' ' LEU . 37.0 mtmm -65.25 -54.26 31.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 5.85 110.8 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.08 97.76 6.3 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 5.91 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.05 139.55 56.5 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.613 2.209 . . . . 3.58 112.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.2 pt -68.11 167.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 4.42 111.066 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' SER . . . . . 0.427 ' HA ' ' H ' ' A' ' 148' ' ' LYS . 80.4 p -127.12 165.03 20.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 3.53 111.21 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.84 173.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.45 110.96 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 41.8 t -106.01 148.24 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 3.39 111.134 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 84.9 p -65.41 -25.79 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 2.82 110.116 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -80.99 -29.67 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.828 -0.624 . . . . 4.51 110.304 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 156' ' ' LEU . 26.7 tt0 -68.99 -44.47 72.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 3.92 110.483 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.5 -0.6 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 2.44 111.192 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.11 -30.3 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 2.8 110.741 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -86.5 -19.35 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 3.78 111.214 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -72.21 -7.01 46.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 3.33 111.346 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -90.23 -8.8 50.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.375 . . . . 4.82 111.048 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.46 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 3.25 111.73 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.57 162.07 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 2.93 111.136 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.74 159.69 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 2.92 110.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.91 3.32 39.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 5.3 111.117 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 5.2 t30 -152.16 -17.65 0.18 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.468 -0.333 . . . . 4.3 111.345 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 116.47 -178.04 17.15 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.787 -0.721 . . . . 4.09 112.912 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.55 149.74 10.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.829 0.347 . . . . 7.57 111.08 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 96.93 -15.81 62.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.914 -0.66 . . . . 6.31 111.897 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.04 144.65 31.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.739 -0.23 . . . . 5.7 110.485 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.95 121.61 10.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.405 2.07 . . . . 6.54 111.897 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.09 111.6 0.5 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.283 -0.417 . . . . 6.78 111.161 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -158.5 134.35 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 5.03 110.879 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? -62.56 143.12 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 5.11 110.706 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.46 119.17 7.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 5.21 110.668 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.42 HG23 ' OD1' ' A' ' 242' ' ' ASP . 35.0 m -106.44 -172.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 3.44 111.446 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 241' ' ' VAL . 12.1 m-20 63.93 30.0 14.33 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.092 -0.504 . . . . 3.67 110.523 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -104.61 52.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.811 -0.631 . . . . 3.74 110.791 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -143.96 160.91 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.951 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -130.99 152.91 81.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.542 . . . . 3.78 110.829 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.37 170.8 16.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.465 2.11 . . . . 2.43 112.534 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -154.79 36.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.579 . . . . 3.18 110.603 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.53 119.42 50.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 5.35 110.844 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.52 ' HA ' HG23 ' A' ' 31' ' ' VAL . 72.9 Cg_endo -76.47 128.93 10.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.297 1.998 . . . . 4.02 112.391 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 33.1 tp -78.28 -44.25 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 3.94 110.481 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -148.48 -57.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.648 -0.705 . . . . 6.83 110.552 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -159.38 -59.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 5.02 110.582 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 62.44 117.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.96 -0.564 . . . . 5.82 111.445 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 254' ' ' GLN . . . . . 0.561 HE22 ' HA ' ' A' ' 38' ' ' ALA . 49.9 tp60 -104.52 145.79 29.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.579 . . . . 3.22 110.779 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 8.5 tp -97.54 139.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.839 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.41 99.64 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 2.91 111.162 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -126.2 148.54 49.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 1.46 110.77 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 191' ' ' TRP . 41.5 t -71.79 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 2.32 110.756 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 189' ' ' ASP . 87.7 t80 -112.11 144.82 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.3 110.65 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 260' ' ' LYS . . . . . 0.478 ' HA ' ' N ' ' A' ' 40' ' ' TYR . 61.4 tttm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.228 -0.892 . . . . 4.59 110.796 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.433 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptm . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.755 0.312 . . . . 32.91 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -82.33 146.23 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 30.03 110.91 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -145.01 17.19 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 29.61 110.965 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -149.19 30.62 0.77 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 26.81 111.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -146.43 124.56 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 25.62 110.801 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.33 -18.75 9.74 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.7 -0.762 . . . . 23.39 112.488 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -73.57 -22.87 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 23.38 110.641 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.98 -16.02 2.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 19.99 112.653 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -70.08 -38.03 75.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.967 0.413 . . . . 19.34 110.791 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -88.13 -17.56 30.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 18.14 110.813 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -92.7 -13.54 29.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 18.74 110.736 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.13 154.97 17.88 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.74 -0.743 . . . . 16.42 112.38 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.0 153.76 63.11 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.632 2.221 . . . . 15.7 112.393 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.44 122.99 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 15.32 110.834 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -103.41 4.25 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 15.63 111.122 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.9 m-90 -73.32 -21.61 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 11.72 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -62.03 -26.71 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 12.77 110.796 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -85.84 -19.6 30.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 15.94 111.069 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 12.96 110.967 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -115.8 149.84 43.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 10.55 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.88 26.71 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 9.69 112.752 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.6 tp -70.19 -29.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.976 0.417 . . . . 8.17 110.78 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.37 39.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 9.4 110.552 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.19 5.15 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.774 -0.648 . . . . 13.28 110.319 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.02 -164.06 28.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 8.88 112.673 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 10.2 pt-20 -159.14 -167.56 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.654 0.264 . . . . 8.92 110.82 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 98.7 mtt180 65.17 21.98 12.18 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 9.6 110.111 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 28' ' ' GLN . 2.5 pp0? -83.73 20.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.615 -0.721 . . . . 6.33 111.068 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -160.71 153.88 18.19 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 3.57 111.18 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.85 131.36 25.45 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.697 2.265 . . . . 2.88 112.156 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 249' ' ' PRO . 22.2 t -128.54 164.78 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 2.26 110.537 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' HG12 ' A' ' 31' ' ' VAL . 47.3 m-20 -87.26 98.81 11.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.779 0.323 . . . . 2.44 110.527 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 31' ' ' VAL . 5.3 mp -85.67 142.56 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 1.53 110.917 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' HG22 ' A' ' 37' ' ' THR . 15.4 m-20 -108.84 129.78 55.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 1.51 111.104 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.2 m -71.65 -25.29 62.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.818 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -68.17 -40.83 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 3.43 111.084 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.2 t -79.12 -21.15 47.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.73 110.996 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.43 151.35 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 1.29 110.674 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -141.58 131.18 23.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 3.53 111.451 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -107.02 125.31 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.958 -0.565 . . . . 4.17 110.59 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -122.87 131.41 24.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 3.04 110.824 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.73 41.29 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.453 2.102 . . . . 2.3 112.486 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -83.95 -41.51 17.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 3.07 110.958 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD21 ' HD3' ' A' ' 83' ' ' PRO . 1.4 tt -104.74 132.82 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 3.08 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.3 pttt -60.31 152.47 63.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 4.28 110.921 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 125.86 12.09 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.498 2.132 . . . . 2.41 112.037 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 84' ' ' LEU . 2.6 mt -55.24 132.71 48.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 5.24 110.685 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.6 t -92.89 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 2.67 110.949 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -146.21 143.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.311 -0.404 . . . . 2.44 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -110.18 142.8 41.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.471 . . . . 2.58 110.474 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -168.82 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 4.87 110.828 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.52 -24.92 22.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.961 -0.563 . . . . 4.17 110.366 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -102.19 1.01 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 4.62 110.883 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.36 120.54 5.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.264 -0.426 . . . . 1.97 111.212 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -143.34 132.18 22.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 1.9 111.291 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.3 p -89.88 167.75 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.574 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 tp -120.98 -39.29 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.372 -0.377 . . . . 3.58 111.662 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 16.3 ptp180 -174.69 171.45 3.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 4.62 111.465 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.46 HG12 HG12 ' A' ' 68' ' ' VAL . 55.7 mt -131.76 105.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.681 . . . . 1.72 110.555 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -95.95 157.99 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 2.58 111.521 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -132.97 154.97 49.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.603 . . . . 1.94 110.728 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -106.93 23.48 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 3.13 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.5 10.52 75.53 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.625 -0.798 . . . . 2.64 112.543 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -149.42 -59.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 4.34 110.609 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.87 161.03 15.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 2.12 110.788 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.65 133.82 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 3.39 111.218 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -133.43 151.5 51.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 2.57 110.666 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' PHE . 14.6 m -117.55 139.79 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 1.95 111.079 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.19 153.14 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.92 0.391 . . . . 3.84 111.426 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -108.73 165.21 11.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 4.12 110.779 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.26 126.3 28.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 3.04 110.695 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -90.69 5.69 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 3.88 110.575 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 m -59.76 -32.06 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 3.2 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -157.18 147.96 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 4.06 110.788 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.56 86.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.607 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 29.9 mmtp -62.92 -72.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 3.26 111.064 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.39 135.18 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.42 111.096 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -135.25 151.43 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 1.72 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -116.25 127.11 54.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.872 0.368 . . . . 2.3 111.368 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -159.34 128.42 5.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 2.67 110.228 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.07 -121.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.278 -0.963 . . . . 2.5 113.366 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.74 -80.0 1.42 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.739 -0.743 . . . . 2.63 113.303 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' HD21 ' A' ' 44' ' ' LEU . 39.6 Cg_endo -65.93 -1.78 5.66 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.764 2.309 . . . . 4.13 112.818 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 47' ' ' LEU . 8.0 mp -64.71 134.16 53.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.317 . . . . 3.0 110.81 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.84 -12.88 40.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 5.04 111.228 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.63 -127.51 1.75 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.578 -0.82 . . . . 1.92 112.784 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -112.23 130.49 55.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.68 111.384 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.09 134.67 54.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 3.43 110.732 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -103.44 152.89 21.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 3.79 111.09 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 6.5 mp -89.45 139.69 30.27 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.153 -0.476 . . . . 2.52 110.757 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -114.01 -80.72 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.323 -0.399 . . . . 2.47 111.436 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -153.16 163.94 38.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.566 0.222 . . . . 2.41 110.868 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' O ' HG22 ' A' ' 68' ' ' VAL . 45.3 p90 -157.42 156.21 31.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 1.57 111.626 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 5.6 p-80 -130.78 167.89 18.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.532 -0.758 . . . . 1.29 110.322 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -112.54 144.78 41.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.309 . . . . 3.19 111.112 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -94.92 173.18 7.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.287 -0.415 . . . . 1.68 110.52 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.571 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 93.2 m95 -133.05 166.31 22.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.831 0.348 . . . . 5.75 111.102 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.14 129.93 2.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.02 -0.609 . . . . 3.04 112.511 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.8 t -76.15 -34.79 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 4.29 111.025 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . 47.8 mt -103.37 141.89 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 5.2 111.069 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.3 -0.06 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 5.33 110.687 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.5 -11.3 51.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.841 -0.695 . . . . 4.18 111.829 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 17.2 pt20 -144.94 171.63 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.603 0.24 . . . . 4.67 110.612 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.24 -44.2 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.482 -0.866 . . . . 1.95 112.874 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.7 m -96.06 -169.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 2.04 111.238 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -93.35 -79.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 2.64 111.123 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.02 163.71 27.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 2.11 110.768 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.466 HG22 ' HG3' ' A' ' 113' ' ' LYS . 29.6 p -133.09 149.43 52.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 1.88 111.527 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.84 145.72 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 2.24 110.767 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.9 t70 53.38 34.41 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.841 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 61.61 25.3 15.24 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.029 -0.532 . . . . 3.37 111.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -134.91 125.61 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.322 -0.399 . . . . 3.86 110.846 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.4 ttmp? -88.89 147.18 24.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 2.57 110.83 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HD1' ' HB3' ' A' ' 148' ' ' LYS . 95.6 m-85 -77.04 166.02 23.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 2.18 111.063 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.54 40.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.107 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -171.55 169.18 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 1.55 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HA ' ' HG ' ' A' ' 147' ' ' LEU . 53.6 tt0 -153.02 145.63 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 2.4 110.989 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.507 HD21 ' HB ' ' A' ' 145' ' ' ILE . 4.4 pp -86.88 147.55 25.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.742 0.306 . . . . 2.07 110.715 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.464 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -110.67 95.01 5.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.71 111.087 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 121' ' ' VAL . 1.6 tt -107.46 129.73 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.997 -0.372 . . . . 2.51 109.997 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.526 ' N ' HD23 ' A' ' 120' ' ' LEU . 25.1 m -104.83 141.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 1.83 111.738 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' ND1' HD23 ' A' ' 143' ' ' LEU . 35.7 m80 -127.63 150.72 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 2.43 109.964 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -158.89 130.46 6.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 3.95 111.232 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 55.9 t30 -69.93 126.28 29.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.838 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 t -73.55 -15.06 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 1.77 111.818 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 17.3 tppt? -57.84 -28.04 63.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 3.65 111.045 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -78.06 -25.64 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 4.38 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.9 -36.48 2.69 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.794 -0.717 . . . . 2.22 112.743 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -139.96 143.98 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 3.07 110.891 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 134' ' ' VAL . 47.3 p90 -64.74 -24.09 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 3.08 110.96 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -68.91 -26.51 74.59 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.71 -0.757 . . . . 2.36 112.469 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.3 -32.96 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 3.63 110.771 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.73 111.62 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 130' ' ' PHE . 23.8 m -60.95 -17.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 2.3 111.434 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -72.13 -7.21 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 3.84 110.762 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -116.27 135.95 22.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.644 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.46 -26.97 83.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.474 2.116 . . . . 2.44 112.203 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.39 20.2 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 2.64 111.183 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.11 -77.95 0.17 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.676 -0.773 . . . . 1.49 112.548 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.699 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.4 pt? -102.33 148.25 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.704 0.288 . . . . 1.76 110.53 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.31 159.99 26.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.98 111.307 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 111.59 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.3 111.114 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.716 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.0 mm? -89.87 121.23 31.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 2.1 110.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.19 134.95 7.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 1.4 112.679 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.507 ' HB ' HD21 ' A' ' 118' ' ' LEU . 62.2 mt -108.32 117.48 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 1.53 110.852 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.33 96.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 4.48 111.056 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 216' ' ' SER . 74.7 mt -61.94 133.51 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 3.25 110.944 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.45 ' HB3' ' HD1' ' A' ' 114' ' ' TYR . 13.9 ptmm? -143.01 168.48 19.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.936 0.398 . . . . 4.32 111.281 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 218' ' ' SER . 92.7 t -79.08 116.41 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.947 -0.57 . . . . 3.13 110.885 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.87 -142.34 7.81 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.558 -0.829 . . . . 3.15 112.802 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m -96.53 -1.93 46.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 3.85 110.927 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . 63.07 171.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.905 -0.588 . . . . 3.82 111.846 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 20.8 ttmm -112.61 127.47 26.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.814 -0.63 . . . . 5.19 110.921 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.75 -26.07 16.4 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.323 2.015 . . . . 3.09 112.3 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.25 65.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 2.71 112.533 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 39.3 tp -68.31 -5.68 19.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 3.94 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -53.58 -27.12 24.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.312 -0.404 . . . . 3.55 110.82 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -59.45 -39.07 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 4.82 110.365 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 96.7 t -79.89 -29.28 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 3.12 110.701 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.79 -36.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 3.14 110.816 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.31 -43.19 86.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.055 -0.521 . . . . 3.01 110.501 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.9 -31.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 2.46 110.679 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -35.51 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 2.31 111.188 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.29 -12.7 1.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 2.42 110.866 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.3 t -92.1 -34.08 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 1.85 111.278 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 166' ' ' ILE . 4.1 mp -100.13 51.26 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.22 0.534 . . . . 2.44 110.722 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.65 -47.48 39.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 3.75 110.828 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 62.2 p -104.71 147.34 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 2.36 111.18 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.439 ' HB2' ' NZ ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.57 147.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 3.46 110.61 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.37 27.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.843 -0.694 . . . . 2.2 112.377 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.84 174.83 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 3.33 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 54.0 m -126.74 163.68 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 2.27 110.753 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -162.03 132.23 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 1.89 111.014 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.33 124.49 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 3.74 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.411 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 67.4 t80 -138.62 105.0 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 4.47 110.77 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.7 t -124.76 -178.02 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 4.59 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.67 57.11 3.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 6.35 111.113 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -80.63 148.9 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 4.67 110.711 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -106.35 93.25 7.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 3.92 110.944 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.59 -8.07 20.14 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 4.59 112.576 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 41.2 ttm180 -71.94 -16.17 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 8.64 110.777 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -92.36 0.68 71.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.65 -0.786 . . . . 3.43 112.506 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.59 18.57 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 5.71 110.986 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 181' ' ' ARG . 96.1 mt -57.18 133.31 80.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 4.53 110.886 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.81 128.01 11.29 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.504 2.136 . . . . 3.71 112.29 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.31 -16.1 50.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 6.38 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.0 t -129.2 154.53 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 5.07 111.111 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 94.6 mt -111.87 67.35 0.65 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 4.32 110.785 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.35 154.24 40.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 3.78 110.832 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -154.67 167.35 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 3.36 110.566 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -120.54 139.2 53.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 4.16 110.568 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -120.7 147.39 45.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.377 -0.374 . . . . 1.5 111.096 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -167.03 87.67 0.79 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 2.91 110.994 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.542 ' HA ' HG23 ' A' ' 207' ' ' THR . 94.2 Cg_endo -77.84 136.17 14.82 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.439 2.093 . . . . 1.48 111.851 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.99 -140.44 2.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.234 -0.984 . . . . 1.64 113.118 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 13.6 m -135.29 -170.76 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.549 0.214 . . . . 2.75 110.656 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' A' ' 202' ' ' LEU . 66.5 mt -56.39 169.29 0.45 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.836 0.351 . . . . 5.98 110.969 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.8 p -78.65 -5.26 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.512 . . . . 5.3 110.386 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.578 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 35.8 p -103.15 165.73 13.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.407 -0.815 . . . . 4.96 110.351 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 85.3 Cg_exo -41.17 158.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.478 2.119 . . . . 5.64 112.433 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -37.74 97.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.955 2.437 . . . . 6.0 112.575 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.531 ' HB3' HD12 ' A' ' 197' ' ' LEU . 0.2 OUTLIER -126.06 -55.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 5.41 111.254 -179.365 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.416 ' HG ' HD12 ' A' ' 202' ' ' LEU . 93.5 mt -148.34 126.49 12.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.788 0.327 . . . . 5.02 111.1 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.6 16.95 21.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.528 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 31.6 p -78.79 2.0 21.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 2.48 110.456 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 122.93 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.715 -0.675 . . . . 1.8 110.74 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.4 m -113.01 140.52 47.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 1.27 111.155 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -106.25 108.59 20.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 2.43 110.72 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.716 ' HB ' HD13 ' A' ' 143' ' ' LEU . 3.2 mp -120.03 161.64 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 1.45 110.558 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 209' ' ' ILE . 36.6 t -123.36 104.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 2.12 111.229 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.441 ' HB2' HG12 ' A' ' 145' ' ' ILE . 76.9 mt -54.4 138.55 39.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.999 -0.546 . . . . 3.85 111.046 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -70.54 -6.68 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 5.85 110.74 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 214' ' ' PRO . 12.8 mm-40 -58.36 162.3 6.31 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.07 -0.514 . . . . 5.91 111.268 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 214' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 213' ' ' GLU . 78.3 Cg_exo -51.27 173.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.801 2.334 . . . . 3.58 112.938 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.778 ' H ' HD13 ' A' ' 215' ' ' ILE . 0.2 OUTLIER -118.29 172.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.879 -0.601 . . . . 4.42 111.307 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 216' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' A' ' 147' ' ' LEU . 42.1 t -50.96 172.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.087 0.47 . . . . 3.53 111.649 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 152' ' ' ALA . 17.6 m -99.05 177.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 2.45 111.499 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.525 ' HA ' HG13 ' A' ' 149' ' ' VAL . 39.0 t -62.32 164.68 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 3.39 111.216 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 222' ' ' VAL . 84.2 p -74.39 -27.25 60.55 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.923 -0.58 . . . . 2.82 110.834 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.31 -21.02 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 4.51 110.638 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -85.03 -34.34 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 3.92 110.865 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 219' ' ' SER . 33.7 m -80.75 27.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.412 . . . . 2.44 110.97 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.3 tp -70.75 -30.63 67.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 2.8 109.91 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -85.48 -17.83 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.592 -0.731 . . . . 3.78 110.373 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -86.12 -36.84 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.862 -0.608 . . . . 3.33 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 223' ' ' LEU . 13.0 ptp180 -65.32 -14.02 59.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 4.82 110.769 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.64 -7.96 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 3.25 111.083 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.24 162.23 20.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 2.93 110.753 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -119.7 140.58 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 2.92 111.122 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.415 ' HA ' ' SD ' ' A' ' 240' ' ' MET . 38.2 t80 -55.81 -45.1 78.37 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 5.3 110.336 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -88.29 179.46 6.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.829 -0.623 . . . . 4.3 110.626 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -93.06 -173.41 40.67 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.649 -0.786 . . . . 4.09 112.333 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.3 OUTLIER -63.45 157.12 24.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 7.57 110.746 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 68.31 3.23 30.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 6.31 112.328 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -108.91 152.03 42.17 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.362 0.125 . . . . 5.7 110.681 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.94 129.35 30.19 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.489 2.126 . . . . 6.54 112.235 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -48.48 132.84 16.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 6.78 111.009 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -149.77 157.57 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 5.03 110.716 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.2 mp -89.2 122.24 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 5.11 111.145 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 230' ' ' PHE . 14.8 tpt -78.74 87.82 4.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 5.21 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.3 p -162.9 110.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 3.44 111.431 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 21.7 t70 179.91 41.0 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.157 -0.474 . . . . 3.67 110.692 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.571 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 32.4 m-80 -117.21 54.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 3.74 111.35 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -110.16 159.82 17.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 3.25 110.824 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -140.75 157.69 67.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 3.78 111.189 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.63 173.06 3.06 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.475 2.117 . . . . 2.43 112.236 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.58 38.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 3.18 110.983 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.25 142.08 97.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 5.35 110.579 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.571 ' HA ' HG13 ' A' ' 31' ' ' VAL . 86.1 Cg_endo -82.92 123.38 3.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.307 2.005 . . . . 4.02 112.797 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.47 -48.47 12.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 3.94 110.418 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -171.57 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.674 -0.694 . . . . 6.83 111.018 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.04 91.61 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.356 -0.384 . . . . 5.02 110.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -95.17 -57.68 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 5.82 111.231 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -158.06 132.07 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.343 . . . . 3.22 111.271 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 6.5 tp -116.4 136.32 53.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.178 -0.465 . . . . 2.02 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -106.41 140.98 38.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.399 . . . . 2.91 110.951 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.29 167.5 19.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 1.46 111.056 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 34.8 t -97.18 18.15 15.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 2.32 110.721 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -114.83 136.78 52.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.795 -0.639 . . . . 3.3 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.268 -0.872 . . . . 4.59 110.791 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.409 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.75 0.309 . . . . 32.91 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 59.86 97.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.982 -0.554 . . . . 30.03 111.072 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -81.02 156.56 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 29.61 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -123.03 142.36 50.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.521 . . . . 26.81 110.745 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -126.42 134.02 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 25.62 110.615 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.84 -25.94 5.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.705 -0.76 . . . . 23.39 112.386 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 57.11 24.15 9.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 23.38 111.175 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.27 79.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 19.99 112.519 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -65.41 -36.07 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 19.34 110.977 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -85.31 -19.64 31.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 18.14 110.771 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -93.99 16.12 15.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 18.74 111.037 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.69 -179.42 22.2 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.69 -0.767 . . . . 16.42 112.64 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.01 88.44 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.759 2.306 . . . . 15.7 112.507 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 137.31 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 15.32 110.878 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -90.82 102.45 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 15.63 110.816 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -63.96 -29.85 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.057 -0.52 . . . . 11.72 111.059 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 24.1 p80 -71.01 -21.04 62.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.845 0.355 . . . . 12.77 110.68 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.46 -19.84 62.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 15.94 110.487 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -99.22 -40.78 7.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.858 -0.61 . . . . 12.96 110.864 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.12 123.28 42.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 10.55 110.517 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -80.11 13.74 2.11 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.386 2.057 . . . . 9.69 112.445 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 22' ' ' ILE . 2.2 mp -81.61 -43.85 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 8.17 110.429 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.77 -38.04 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 9.4 110.734 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 63.5 tttp -79.04 -17.61 54.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 13.28 110.653 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.33 131.71 52.19 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.851 -0.69 . . . . 8.88 112.851 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -109.08 118.65 37.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.802 0.334 . . . . 8.92 110.814 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -103.66 1.15 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 9.6 110.815 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -93.8 166.36 12.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 6.33 111.244 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -142.61 78.09 16.41 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 3.57 110.712 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.73 125.43 15.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.578 2.185 . . . . 2.88 112.387 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -131.44 140.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.093 -0.503 . . . . 2.26 110.987 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.58 133.84 53.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.0 -0.545 . . . . 2.44 110.931 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.6 mp -98.87 131.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 1.53 110.885 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG22 ' A' ' 37' ' ' THR . 6.4 m-20 -102.84 129.27 49.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.06 0.457 . . . . 1.51 111.182 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 m -80.11 -15.73 56.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.626 . . . . 1.95 110.275 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -83.21 -35.6 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.518 -0.764 . . . . 3.43 111.307 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.0 t -74.43 -14.95 60.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 1.73 111.156 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.55 156.98 24.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 1.29 110.953 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.61 145.74 45.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.526 -0.306 . . . . 3.53 110.789 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -101.65 107.48 18.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.06 0.457 . . . . 4.17 111.444 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -120.73 120.64 29.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 3.04 110.472 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.78 86.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.323 2.015 . . . . 2.3 112.605 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -89.71 -45.64 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.354 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 ' HA3' ' A' ' 81' ' ' GLY . 37.4 tp -141.68 131.41 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.792 -0.64 . . . . 3.08 110.288 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -108.32 155.35 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 4.28 111.142 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.08 125.7 12.83 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.137 1.891 . . . . 2.41 111.816 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.432 HD23 ' HE2' ' A' ' 80' ' ' LYS . 47.6 tp -112.42 -56.44 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 5.24 110.818 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 m -135.49 137.71 42.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 2.67 110.999 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 HD12 ' A' ' 79' ' ' LEU . 4.6 m -142.92 124.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 2.44 111.308 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m -113.78 145.87 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 2.58 111.061 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -179.61 40.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.959 -0.564 . . . . 4.87 110.66 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.75 -31.7 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.895 -0.593 . . . . 4.17 110.739 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -105.86 4.4 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 4.62 110.835 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.42 120.33 8.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 1.97 111.473 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 57' ' ' LEU . 48.8 m -139.65 135.41 33.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.338 -0.392 . . . . 1.9 111.03 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -134.48 31.38 3.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.494 . . . . 1.87 111.046 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 175' ' ' PHE . 7.4 mp -94.46 -2.44 51.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 3.58 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -116.4 123.71 48.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 4.62 110.848 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.735 ' HB ' HD12 ' A' ' 166' ' ' ILE . 76.0 mt -131.24 103.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.72 111.053 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -113.21 140.09 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 2.58 110.534 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -108.74 167.55 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 1.94 111.301 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.61 17.0 23.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 3.13 111.516 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.94 14.36 59.43 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.587 -0.816 . . . . 2.64 112.681 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -170.71 -52.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 4.34 111.196 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.23 150.75 24.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 2.12 110.998 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -122.01 143.85 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 3.39 111.103 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -129.67 104.66 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 2.57 110.608 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 15.4 m -107.43 116.67 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.354 . . . . 1.95 111.482 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 9.9 tp10 178.86 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.22 -0.445 . . . . 3.84 110.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.433 ' HB3' ' HD3' ' A' ' 76' ' ' LYS . 27.7 m-85 -129.76 168.49 16.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.344 -0.389 . . . . 4.12 110.717 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 m-20 -64.99 148.89 50.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 3.04 110.46 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.51 14.41 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 3.88 111.151 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.8 p -78.2 -43.52 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 3.2 110.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -167.09 -171.25 1.72 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 4.06 111.156 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.31 144.55 32.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.253 -0.43 . . . . 2.84 110.997 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 14.4 mptt -115.14 -83.0 0.62 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 3.26 111.385 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -103.85 141.31 36.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 1.42 111.567 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 50' ' ' SER . 27.2 m -135.65 167.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 1.72 110.646 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 49' ' ' VAL . 25.8 tp -130.35 138.31 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 2.3 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HE2' HD23 ' A' ' 47' ' ' LEU . 87.6 tttt -140.83 138.28 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.35 -0.387 . . . . 2.67 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.452 ' HA3' HD21 ' A' ' 44' ' ' LEU . . . -96.91 -177.99 34.92 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.847 -0.692 . . . . 2.5 112.522 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.51 -93.53 0.01 OUTLIER Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.874 -0.679 . . . . 2.63 112.757 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD2' HD12 ' A' ' 44' ' ' LEU . 37.2 Cg_endo -65.17 -5.05 10.23 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.554 2.17 . . . . 4.13 112.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' HE1' ' A' ' 88' ' ' TYR . 35.6 tp -78.49 137.58 38.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 3.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 54.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 5.04 110.69 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.16 116.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.888 -0.673 . . . . 1.92 112.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.9 p -83.49 118.36 23.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 1.68 111.22 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.42 ' HE1' HD21 ' A' ' 84' ' ' LEU . 35.6 m-85 -89.69 117.07 28.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 3.43 111.04 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 78' ' ' VAL . 99.0 mtt180 -94.22 141.1 28.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 3.79 110.548 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.2 mt -82.5 132.56 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.86 0.362 . . . . 2.52 110.871 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.49 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 2.47 111.256 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.559 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . 18.6 pt20 -159.77 170.39 21.59 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.715 -0.22 . . . . 2.41 110.933 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -141.61 173.04 11.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 1.57 110.839 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.499 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.2 p-80 -149.8 167.98 25.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.836 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -117.33 162.1 18.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.885 0.374 . . . . 3.19 111.565 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.427 ' HA ' HD22 ' A' ' 243' ' ' ASN . 45.1 m-70 -120.7 166.31 13.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.909 -0.587 . . . . 1.68 110.478 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -171.13 100.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 5.75 110.461 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.594 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -58.73 -178.46 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.889 -0.672 . . . . 3.04 112.829 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -101.13 2.77 40.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 4.29 110.567 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 mt -92.65 145.76 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.855 -0.611 . . . . 5.2 110.899 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 30.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 5.33 110.955 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -145.09 -51.06 0.03 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.575 -0.821 . . . . 4.18 112.603 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.97 176.19 9.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.613 0.244 . . . . 4.67 110.747 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.01 51.22 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.362 -0.923 . . . . 1.95 113.08 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.67 ' H ' ' HE2' ' A' ' 113' ' ' LYS . 42.1 t -107.67 175.44 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.611 0.243 . . . . 2.04 110.7 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.45 ' HG2' ' HB2' ' A' ' 245' ' ' ARG . 41.1 mt-10 -73.3 -83.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.64 110.656 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -103.71 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 2.11 110.249 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.8 p -116.58 116.97 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 1.88 111.653 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.31 143.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 2.24 110.48 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.0 t70 54.75 30.42 13.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.36 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 63.94 25.53 13.96 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.872 -0.604 . . . . 3.37 111.375 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -129.27 146.7 51.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 3.86 111.097 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.67 ' HE2' ' H ' ' A' ' 105' ' ' SER . 75.1 tttt -117.31 150.17 39.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 2.57 110.608 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.46 164.22 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 2.18 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.1 -22.7 23.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.301 -0.409 . . . . 1.72 111.049 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.98 158.48 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.55 110.715 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 11.2 pt-20 -152.46 140.99 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 2.4 111.679 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 66.2 mt -87.01 148.14 25.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.232 -0.44 . . . . 2.07 110.51 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.499 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 2.9 m170 -126.91 100.78 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 1.71 111.234 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 143' ' ' LEU . 5.5 tt -92.38 123.02 35.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.51 110.325 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 142' ' ' VAL . 5.7 m -110.93 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 1.83 111.384 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -116.57 118.25 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 2.43 110.78 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.597 ' HB3' HD12 ' A' ' 140' ' ' LEU . 26.0 m0 -109.19 120.13 41.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.95 110.581 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -55.87 128.28 34.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 2.19 110.727 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -58.93 -14.4 9.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 1.77 111.154 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.87 -14.2 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.703 -0.681 . . . . 3.65 111.458 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 2.3 p90 -77.39 -29.64 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.449 -0.341 . . . . 4.38 111.502 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 2.22 112.347 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.16 172.04 13.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.642 0.258 . . . . 3.07 110.923 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -57.09 -43.61 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 3.08 111.236 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.56 -42.4 57.88 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.859 -0.686 . . . . 2.36 112.718 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 96.7 mttt -83.25 -17.47 42.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 3.63 110.703 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HD1' ' A' ' 127' ' ' TYR . . . -65.38 -50.9 63.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.73 110.609 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -64.0 -22.7 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.841 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -81.79 -24.07 36.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 3.84 110.851 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -117.34 83.37 16.17 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.155 -0.475 . . . . 3.22 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.65 -35.84 98.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.463 2.109 . . . . 2.44 112.5 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.87 25.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 2.64 111.483 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.13 -21.58 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.615 -0.802 . . . . 1.49 112.427 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 123' ' ' TRP . 1.3 mm? -113.2 117.16 31.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.7 0.286 . . . . 1.76 110.645 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -109.07 156.45 19.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.98 111.15 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 209' ' ' ILE . 40.5 t -129.92 113.87 28.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 1.3 111.4 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.508 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 65.1 tp -85.66 144.34 27.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 2.1 110.878 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.76 118.18 2.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 1.4 112.688 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 60.6 mt -102.91 143.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 1.53 110.725 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -121.26 122.1 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.528 -0.305 . . . . 4.48 110.991 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.471 HD11 ' HG ' ' A' ' 118' ' ' LEU . 14.7 mt -105.29 160.83 14.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 3.25 110.885 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -148.1 142.3 26.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 4.32 110.997 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.02 122.38 16.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.317 -0.401 . . . . 3.13 110.94 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.75 -86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 3.15 112.57 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.9 m -154.52 105.97 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 3.85 110.753 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.11 169.99 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 3.82 111.038 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.59 149.22 36.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 5.19 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.485 ' HD2' HH12 ' A' ' 181' ' ' ARG . 50.3 Cg_endo -69.87 -2.68 10.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.534 2.156 . . . . 3.09 112.047 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.97 -56.47 6.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.881 -0.676 . . . . 2.71 112.391 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.9 mp -96.01 0.45 51.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 3.94 110.923 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 3.55 110.616 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -84.91 -24.56 28.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 4.82 111.042 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 162' ' ' VAL . 59.2 t -67.54 -39.82 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 3.12 111.881 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.85 -15.51 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 3.14 111.415 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.95 -47.54 24.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.301 -0.408 . . . . 3.01 110.785 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 159' ' ' VAL . 15.0 m -71.03 -17.34 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 2.46 110.688 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 2.31 110.93 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.83 -17.87 4.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 2.42 110.496 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.6 t -82.05 -43.78 17.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.906 -0.588 . . . . 1.85 110.216 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.735 HD12 ' HB ' ' A' ' 59' ' ' ILE . 3.6 pt -92.08 30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.964 -0.562 . . . . 2.44 110.763 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.25 -46.43 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.839 -0.619 . . . . 3.75 111.06 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 63.8 p -83.11 169.49 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.815 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -80.53 144.19 32.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 3.46 111.0 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.76 68.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 2.2 112.47 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -109.62 120.95 44.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 3.33 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 39.4 t -106.36 168.93 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 2.27 110.464 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.94 141.69 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 1.89 111.178 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -85.56 156.11 20.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 3.74 110.605 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 37.7 p90 -97.25 128.46 44.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 4.47 110.909 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 32.5 m -151.87 151.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 4.59 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.16 55.84 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 6.35 110.571 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -52.07 149.4 5.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.841 -0.618 . . . . 4.67 111.141 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.6 108.82 27.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.55 . . . . 3.92 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.83 -16.36 49.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.226 1.951 . . . . 4.59 112.202 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ARG . . . . . 0.485 HH12 ' HD2' ' A' ' 154' ' ' PRO . 17.4 ptp180 -76.17 -24.76 54.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 8.64 110.73 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -80.31 14.57 21.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.86 -0.686 . . . . 3.43 112.614 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.52 17.21 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 5.71 110.791 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.54 146.47 85.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.1 -0.5 . . . . 4.53 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.94 128.04 9.74 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.471 2.114 . . . . 3.71 112.559 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.2 -7.28 59.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 6.38 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.9 t -86.81 100.49 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 5.07 111.074 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.436 ' HG ' ' OD1' ' A' ' 189' ' ' ASP . 62.9 tp -168.1 -73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 4.32 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.436 ' OD1' ' HG ' ' A' ' 188' ' ' LEU . 35.3 m-20 -145.23 164.38 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.78 110.794 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.83 167.83 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 3.36 110.975 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.569 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 15.6 t-105 -147.63 116.92 6.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 4.16 110.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 6.2 t -146.81 169.06 19.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 1.5 111.754 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' TYR . . . . . 0.444 ' HB2' HG13 ' A' ' 255' ' ' ILE . 22.1 t80 -158.06 117.25 1.86 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 115.78 -0.645 . . . . 2.91 110.346 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.617 ' HA ' HG23 ' A' ' 207' ' ' THR . 74.0 Cg_exo -48.7 127.58 16.74 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.218 1.945 . . . . 1.48 112.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -105.07 119.09 6.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.64 112.773 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.47 ' HB2' ' H ' ' A' ' 203' ' ' LEU . 97.5 p -113.84 -179.62 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.594 0.235 . . . . 2.75 110.432 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.82 -178.15 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.578 -0.283 . . . . 5.98 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 7.6 t -69.27 -17.89 63.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 5.3 110.205 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.613 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 32.0 p -89.74 168.36 15.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.332 -0.849 . . . . 4.96 110.151 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 74.3 Cg_exo -40.43 161.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.539 2.159 . . . . 5.64 112.522 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -32.3 98.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.324 2.683 . . . . 6.0 113.256 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.424 ' H ' ' HB2' ' A' ' 196' ' ' SER . 0.5 OUTLIER -115.6 -50.98 2.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 5.41 110.368 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 203' ' ' LEU . 3.1 mm? 61.17 88.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 5.02 110.62 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -68.16 -74.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 3.98 110.727 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.4 p -174.69 35.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 2.48 110.505 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.3 121.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 1.8 111.175 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.617 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.0 m -109.13 146.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 1.27 110.453 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -92.03 107.89 19.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 2.43 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.2 mm -103.66 155.81 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 1.45 110.513 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 62.2 t -144.62 135.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 2.12 111.076 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.58 151.46 37.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 3.85 110.478 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 64.7 pttt -52.96 -46.26 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 5.85 111.25 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 212' ' ' LYS . 42.5 mm-40 -131.99 99.04 16.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 5.91 111.126 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.42 131.08 40.7 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.284 1.989 . . . . 3.58 112.044 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.404 HG13 HD22 ' A' ' 147' ' ' LEU . 33.7 pt -77.28 164.53 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 4.42 111.405 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 24.2 m -125.79 144.41 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 3.53 110.743 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 147' ' ' LEU . 33.6 m -131.49 164.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.45 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 48.2 t -109.72 160.03 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.455 -0.339 . . . . 3.39 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.529 ' HB2' HH22 ' A' ' 226' ' ' ARG . 89.2 p -55.21 -23.43 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 2.82 110.974 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.97 -32.59 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 4.51 110.456 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.59 -35.04 76.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 3.92 110.449 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.6 m -94.98 -1.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 2.44 110.898 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 226' ' ' ARG . 49.4 tp -64.25 -29.54 70.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 2.8 110.535 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.863 -0.608 . . . . 3.78 110.787 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -87.68 -24.97 23.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 3.33 111.058 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.574 ' HD2' HD12 ' A' ' 223' ' ' LEU . 98.9 mtt180 -64.21 -20.39 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.045 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.46 -20.51 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 3.25 110.891 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.73 162.19 19.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.93 111.216 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.75 148.65 32.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.56 . . . . 2.92 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 51.7 p90 -72.16 -8.64 55.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.019 -0.537 . . . . 5.3 111.258 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.422 ' HB3' ' HG3' ' A' ' 235' ' ' GLU . 46.6 t30 -144.27 -59.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 4.3 111.114 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 178.18 -160.66 27.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.707 -0.758 . . . . 4.09 112.544 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.91 157.27 35.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 7.57 110.954 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 75.54 3.14 71.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.771 -0.728 . . . . 6.31 112.204 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 235' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 231' ' ' ASN . 8.3 mm-40 -106.92 150.35 39.67 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.411 0.148 . . . . 5.7 110.806 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.01 138.46 78.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.157 . . . . 6.54 112.307 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.17 95.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 6.78 110.947 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.56 140.71 22.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 5.03 110.961 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -69.27 141.59 54.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 5.11 110.81 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.458 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 45.6 ttp -64.99 125.39 24.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 5.21 110.767 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.14 179.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 3.44 111.396 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 12.3 t70 65.96 42.37 3.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.13 -0.486 . . . . 3.67 110.302 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.594 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 2.7 m-20 -96.27 51.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.737 -0.665 . . . . 3.74 111.426 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -97.91 148.35 23.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 3.25 110.792 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.45 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 35.4 mmt180 -140.74 151.78 64.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 3.78 110.934 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -78.03 151.34 27.2 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.543 2.162 . . . . 2.43 112.182 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.56 -173.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 3.18 111.046 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.8 143.73 50.18 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 5.35 110.846 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.11 126.02 8.31 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.579 2.186 . . . . 4.02 112.748 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 32.8 tp -72.71 -27.84 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 3.94 110.274 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.04 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 6.83 111.788 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -145.63 -54.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 5.02 111.142 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -50.65 144.33 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 5.82 111.068 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -102.32 171.53 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 3.22 110.925 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 193' ' ' TYR . 1.8 mp -68.09 116.36 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 2.02 111.068 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -88.23 78.92 7.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 2.91 110.489 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.78 162.51 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.46 111.007 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 97.0 p -106.93 1.38 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.651 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -112.26 143.57 43.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.542 . . . . 3.3 110.895 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 65.0 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.192 -0.909 . . . . 4.59 110.984 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 0.403 ' O3 ' ' N2 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.801 0.334 . . . . 32.91 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -115.94 -176.02 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 30.03 110.779 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 57.67 89.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.98 0.419 . . . . 29.61 110.829 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -107.98 -6.3 16.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 26.81 111.121 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -95.77 132.63 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 25.62 111.151 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.43 163.87 12.13 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.951 -0.642 . . . . 23.39 112.197 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -95.28 -35.33 11.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.698 0.285 . . . . 23.38 111.22 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.93 144.4 15.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.693 -0.765 . . . . 19.99 112.542 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.39 -41.71 80.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.808 0.337 . . . . 19.34 110.728 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -82.68 -31.6 28.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 18.14 110.701 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -80.33 -13.5 59.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 18.74 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.2 170.65 23.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 16.42 112.458 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.69 174.94 9.57 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.611 2.207 . . . . 15.7 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.66 131.45 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 15.32 110.748 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -123.71 113.91 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 15.63 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -67.37 -12.38 60.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 11.72 110.819 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -78.3 -29.76 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 12.77 110.694 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -71.48 -19.55 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 15.94 110.922 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.84 -32.43 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 12.96 110.719 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -106.0 141.37 22.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.55 110.804 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -77.95 12.99 1.82 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.434 2.089 . . . . 9.69 112.695 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 204' ' ' GLU . 8.0 tp -74.32 -39.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.869 0.366 . . . . 8.17 110.459 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.22 -22.58 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 9.4 110.666 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -88.6 -16.35 32.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 13.28 110.77 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.65 129.39 9.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 8.88 112.74 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.35 -14.19 25.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 8.92 110.551 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -86.29 0.16 54.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 9.6 109.924 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 196' ' ' SER . 21.8 mm-40 -84.49 49.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.42 -0.809 . . . . 6.33 110.715 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -158.79 146.48 13.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 3.57 110.77 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.62 125.16 18.14 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.513 2.142 . . . . 2.88 112.186 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.4 p -133.14 176.58 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 2.26 110.823 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.655 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -84.25 112.91 20.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 2.44 110.768 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 31' ' ' VAL . 4.7 mp -91.71 106.44 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.961 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.533 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -113.13 129.49 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 1.51 111.193 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 m -60.9 -19.97 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 1.95 110.726 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -82.53 -41.11 20.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 3.43 111.583 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -74.81 -19.66 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 1.73 111.092 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.52 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 1.29 110.772 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -128.19 144.65 51.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.372 . . . . 3.53 111.13 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -81.25 98.12 7.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 4.17 110.724 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -117.15 92.27 39.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 3.04 111.417 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.88 86.08 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.426 2.084 . . . . 2.3 112.179 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.3 p -89.76 -42.48 11.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 3.07 111.099 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.3 mt -145.66 87.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.08 111.179 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.59 149.05 95.42 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.839 -0.619 . . . . 4.28 110.879 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 39.1 Cg_endo -67.04 126.94 15.95 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.485 2.123 . . . . 2.41 112.449 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.0 -49.38 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 5.24 111.124 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -132.81 135.81 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 2.67 111.356 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG13 ' HG ' ' A' ' 79' ' ' LEU . 61.6 t -145.16 130.18 13.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.863 -0.608 . . . . 2.44 110.412 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.3 t -107.16 135.01 49.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 2.58 111.319 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -169.7 40.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 4.87 110.797 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -91.58 -43.43 9.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.11 -0.495 . . . . 4.17 110.463 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -85.11 -9.03 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 4.62 110.331 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -48.1 120.19 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.968 -0.56 . . . . 1.97 110.991 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -160.1 144.87 14.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 1.9 111.603 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.7 p -103.14 162.05 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 1.87 110.123 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.6 mt -120.7 -39.04 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.68 -0.236 . . . . 3.58 111.516 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -171.09 158.7 5.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 4.62 111.183 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 68' ' ' VAL . 4.9 mp -132.42 116.01 27.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.72 110.793 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -101.83 152.38 20.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.572 -0.286 . . . . 2.58 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' ND2' HG21 ' A' ' 166' ' ' ILE . 2.1 m-20 -103.69 153.4 20.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.258 -0.428 . . . . 1.94 111.259 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -106.54 18.65 21.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.918 -0.583 . . . . 3.13 111.005 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 97.71 10.88 52.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 2.64 112.474 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.611 ' HA ' ' HG2' ' A' ' 169' ' ' LYS . 23.7 p80 -176.89 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.711 0.291 . . . . 4.34 110.784 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.08 21.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 2.12 110.605 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -142.69 138.12 30.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 3.39 111.564 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 3.6 p-10 -117.09 148.25 41.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 2.57 110.609 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.431 ' HA ' HG13 ' A' ' 59' ' ' ILE . 13.3 p -81.4 147.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 1.95 111.424 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -110.15 145.01 37.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 3.84 110.86 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -120.45 145.14 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 4.12 110.521 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.35 149.84 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 3.04 110.78 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -86.34 33.69 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 3.88 111.59 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -89.63 -0.12 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 3.2 111.013 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 60.71 176.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.184 -0.462 . . . . 4.06 111.085 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 39.38 51.11 2.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 2.84 111.643 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.619 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 15.4 tppt? -86.26 -58.72 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.26 110.922 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -160.11 119.75 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 1.42 111.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -128.15 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.006 -0.543 . . . . 1.72 110.558 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HG ' HG13 ' A' ' 49' ' ' VAL . 5.3 mp -127.0 151.52 48.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 2.3 111.347 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -159.37 165.8 32.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 2.67 110.533 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -132.11 86.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 2.5 112.849 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.74 -178.13 16.49 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.628 -0.796 . . . . 2.63 112.633 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.09 0.85 9.3 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.459 2.106 . . . . 4.13 111.962 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.1 140.93 36.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 3.0 110.783 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.33 11.8 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 5.04 110.7 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 44.34 1.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 1.92 112.344 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 t -54.28 142.92 24.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 1.68 111.253 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -97.72 133.71 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 3.43 110.65 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.84 146.95 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 3.79 111.345 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 2.52 110.445 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.6 ' HB ' HG23 ' A' ' 121' ' ' VAL . 3.5 mp -102.85 -71.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 2.47 111.541 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' HG22 ' A' ' 91' ' ' ILE . 14.2 pt20 -159.33 171.92 18.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.82 0.343 . . . . 2.41 111.131 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 40.2 p90 -148.02 146.38 28.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.57 111.114 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -120.5 169.58 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.873 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 118' ' ' LEU . 2.3 m-85 -109.71 149.51 29.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 3.19 111.089 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -113.21 169.82 8.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.982 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -176.05 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 5.75 110.749 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 241' ' ' VAL . . . -136.44 7.44 3.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.52 -0.848 . . . . 3.04 113.244 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 -35.3 7.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.918 0.359 . . . . 4.29 111.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.2 mt -154.22 117.47 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 5.2 110.423 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.72 83.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 5.33 110.521 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.16 -45.72 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 4.18 112.293 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -139.15 131.87 29.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 4.67 110.9 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.484 ' HA2' ' HG3' ' A' ' 113' ' ' LYS . . . 72.55 -11.99 3.84 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.79 -0.719 . . . . 1.95 113.119 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.1 t 64.59 133.04 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.014 0.435 . . . . 2.04 111.245 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.86 -13.75 17.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 2.64 110.744 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -100.66 175.07 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 2.11 110.586 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 61.4 m -82.11 127.27 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.88 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.1 m -83.51 159.54 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.24 111.54 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.16 74.72 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.644 -0.707 . . . . 2.18 110.136 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 67.62 -2.41 1.35 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.9 -0.591 . . . . 3.37 111.288 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HD2' ' HD3' ' A' ' 148' ' ' LYS . 53.0 pttt -136.41 120.71 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 3.86 110.821 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HG3' ' HA2' ' A' ' 104' ' ' GLY . 24.7 ttmm -80.39 149.32 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.956 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.93 98.98 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 2.18 110.332 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.84 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 1.72 111.098 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -123.93 168.04 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.55 110.569 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 43.2 mt-10 -150.48 141.6 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.868 0.366 . . . . 2.4 111.566 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.601 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.5 mt -86.57 148.17 25.62 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.081 -0.509 . . . . 2.07 110.41 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 97.74 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 1.71 111.264 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.571 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 8.3 mp -89.39 134.55 34.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.406 . . . . 2.51 110.29 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.6 HG23 ' HB ' ' A' ' 91' ' ' ILE . 7.2 m -103.26 121.64 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.83 111.444 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -131.71 158.57 40.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.033 -0.53 . . . . 2.43 110.749 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -169.86 143.51 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 3.95 110.608 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.22 127.87 33.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 2.19 111.097 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 t -74.52 -14.69 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.77 110.917 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.84 -26.88 59.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 3.65 110.941 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -79.61 -27.85 41.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 4.38 111.042 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.79 -71.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 2.22 112.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.39 172.04 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 3.07 110.945 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -55.73 -37.78 68.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 3.08 110.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.82 68.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.843 -0.694 . . . . 2.36 112.565 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -88.89 -25.16 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 3.63 110.754 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.79 -39.91 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 1.73 111.132 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.65 -11.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 2.3 111.29 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.08 -10.45 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 3.84 110.773 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -138.2 129.57 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.01 -0.541 . . . . 3.22 110.512 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.45 -32.69 24.79 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 2.44 112.282 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -106.91 26.59 9.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 2.64 110.69 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -99.88 -18.27 23.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.797 -0.716 . . . . 1.49 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.5 pt? -126.48 151.61 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.76 110.907 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.3 135.37 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 206' ' ' VAL . 27.8 t -105.52 121.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 1.3 111.077 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.5 mm? -85.94 106.36 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 2.1 111.15 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -100.15 109.9 3.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.902 -0.666 . . . . 1.4 112.251 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.609 HD11 ' HG ' ' A' ' 211' ' ' LEU . 48.6 mm -104.28 143.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 1.53 111.292 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 53.2 p90 -108.54 151.44 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 4.48 110.96 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.0 mt -122.36 119.84 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 3.25 110.613 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.42 ' HD3' ' HD2' ' A' ' 112' ' ' LYS . 63.2 pttt -114.18 138.36 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 4.32 110.994 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.88 135.89 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 3.13 110.726 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.9 -167.63 20.94 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.936 -0.65 . . . . 3.15 111.838 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.0 m 55.95 53.97 8.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.073 0.463 . . . . 3.85 110.392 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.28 117.26 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 3.82 111.518 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 36.8 ttmt -102.25 136.6 19.39 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.155 -0.475 . . . . 5.19 110.648 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.35 -29.98 7.14 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.507 2.138 . . . . 3.09 112.54 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.21 2.8 68.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 2.71 112.834 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 45.4 tp -68.32 -12.49 61.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 3.94 110.695 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.33 -21.58 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 3.55 110.689 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -50.43 -47.13 56.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 4.82 111.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 162' ' ' VAL . 11.8 p -84.45 -22.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.311 -0.404 . . . . 3.12 111.237 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.89 -32.06 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 3.14 111.131 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -73.67 -49.24 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 3.01 110.896 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 159' ' ' VAL . 12.1 p -66.39 -24.3 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 2.46 110.903 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.73 -39.14 93.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 2.31 111.219 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.59 -12.46 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 2.42 110.873 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.9 m -83.19 -34.18 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 1.85 111.139 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.427 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -104.31 51.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.891 0.377 . . . . 2.44 110.84 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 168' ' ' THR . 9.4 ptpp? -50.4 -41.67 52.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.142 -0.481 . . . . 3.75 110.772 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 p -111.3 144.73 40.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 2.36 110.616 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -66.56 146.07 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 3.46 111.107 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.68 -25.36 15.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.838 -0.696 . . . . 2.2 112.446 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.03 176.89 9.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 3.33 111.073 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 36.5 t -135.81 172.93 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.818 -0.628 . . . . 2.27 110.984 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.09 142.57 18.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.89 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -92.5 134.04 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 3.74 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -156.16 107.39 2.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 4.47 110.611 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.9 t -128.67 -178.66 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 4.59 111.079 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 64.34 57.19 1.21 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.023 0.44 . . . . 6.35 111.219 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -87.12 139.67 30.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.459 . . . . 4.67 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.69 112.44 34.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 3.92 111.229 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.25 -7.86 13.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.556 2.171 . . . . 4.59 112.549 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -66.28 -30.08 70.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.383 -0.372 . . . . 8.64 110.976 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -74.72 2.35 48.98 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.686 -0.769 . . . . 3.43 112.575 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 95.1 mt -111.98 19.1 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.681 0.277 . . . . 5.71 110.99 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 2.5 pt? -55.85 145.83 50.68 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 4.53 110.718 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 15.6 Cg_exo -68.58 126.89 14.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.593 2.195 . . . . 3.71 112.41 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.83 -45.7 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 6.38 110.746 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.8 m -151.82 159.43 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 5.07 110.781 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 74.4 mt -93.85 59.06 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 4.32 110.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -147.95 168.47 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 3.78 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -139.94 -179.94 6.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 3.36 110.778 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.669 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 8.3 t-105 -145.07 111.49 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 4.16 110.251 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.8 t -114.79 153.63 30.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 1.5 111.185 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -160.34 87.08 1.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 2.91 110.923 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.622 ' HA ' HG23 ' A' ' 207' ' ' THR . 36.4 Cg_endo -65.57 127.72 18.62 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.192 1.928 . . . . 1.48 111.981 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.77 -166.78 15.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 1.64 112.715 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . 92.3 p -116.2 -171.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.676 0.274 . . . . 2.75 110.874 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.545 HD22 HD12 ' A' ' 203' ' ' LEU . 21.8 tp -59.44 167.04 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 5.98 110.804 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 76.8 p -55.2 -23.73 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.154 0.502 . . . . 5.3 110.549 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 23.6 p -90.3 165.66 22.76 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 4.96 110.358 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 78.8 Cg_exo -42.83 160.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.457 2.105 . . . . 5.64 112.673 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -40.14 96.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.84 2.36 . . . . 6.0 112.717 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.93 -46.56 0.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 5.41 111.17 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.545 HD12 HD22 ' A' ' 197' ' ' LEU . 57.6 mt -124.8 113.45 17.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 5.02 111.574 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.417 ' N ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -104.58 14.49 29.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 3.98 110.82 179.673 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 6.23 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 2.48 110.541 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 142' ' ' VAL . 16.2 t -125.05 121.45 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 1.8 111.031 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.622 HG23 ' HA ' ' A' ' 194' ' ' PRO . 30.9 m -113.04 146.49 39.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 1.27 110.963 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.83 108.65 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 2.43 111.124 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -115.39 146.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 1.45 110.692 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 21.6 t -122.32 137.07 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.12 111.11 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 145' ' ' ILE . 63.4 mt -64.86 167.61 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 3.85 110.938 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -68.59 -28.99 67.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 5.85 111.268 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.27 90.79 50.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 5.91 111.124 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.04 127.45 16.02 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.389 2.06 . . . . 3.58 112.132 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 19.2 tt -82.31 151.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 4.42 111.178 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 77.9 p -131.34 165.84 22.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 3.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.32 147.5 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 2.45 111.224 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 51.7 m -92.73 150.59 20.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 3.39 110.806 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 222' ' ' VAL . 39.7 t -70.83 -13.25 61.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 2.82 110.967 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.13 -35.61 41.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 4.51 111.479 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 221' ' ' GLN . . . . . 0.531 ' NE2' HD21 ' A' ' 156' ' ' LEU . 3.2 pt20 -80.22 -36.85 34.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.7 0.286 . . . . 3.92 111.197 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 219' ' ' SER . 18.1 m -76.84 -6.5 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.39 . . . . 2.44 110.732 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.92 -35.51 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 2.8 110.209 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -75.48 -24.93 56.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.833 -0.621 . . . . 3.78 110.739 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -63.39 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 3.33 110.74 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.37 -33.91 74.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 4.82 110.667 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -75.3 -23.91 57.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 3.25 110.69 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 86.5 mt -88.03 162.13 16.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.025 -0.534 . . . . 2.93 110.821 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.11 145.96 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 2.92 110.598 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -73.2 3.1 6.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 5.3 111.177 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -152.96 166.84 31.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.608 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 232' ' ' GLY . . . . . 0.454 ' N ' ' HB2' ' A' ' 169' ' ' LYS . . . -65.12 170.69 25.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.609 -0.805 . . . . 4.09 112.386 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -72.64 156.64 38.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 7.57 110.915 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.87 55.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 6.31 112.195 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -102.42 152.84 38.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.565 0.221 . . . . 5.7 110.83 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.34 142.21 78.23 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.616 2.211 . . . . 6.54 112.422 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.83 103.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 6.78 110.844 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.29 148.16 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 5.03 110.828 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.6 mp -67.92 146.87 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 5.11 110.927 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.569 ' HG3' HG12 ' A' ' 241' ' ' VAL . 25.6 ptt? -54.1 -30.98 50.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.876 -0.602 . . . . 5.21 111.192 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 240' ' ' MET . 8.2 p -158.84 149.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 3.44 110.988 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -149.08 26.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 3.67 110.364 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 243' ' ' ASN . . . . . 0.451 ' H ' HG22 ' A' ' 241' ' ' VAL . 3.0 t-20 -129.53 34.34 4.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 3.74 111.171 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -97.1 132.75 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 3.25 110.896 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -141.11 150.9 60.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 3.78 111.117 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.16 136.51 20.18 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.582 2.188 . . . . 2.43 112.362 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -93.63 164.76 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 3.18 111.527 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -129.53 99.42 20.97 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 5.35 110.241 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.14 123.84 11.78 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.318 2.012 . . . . 4.02 112.591 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.424 HD23 ' HG2' ' A' ' 253' ' ' ARG . 56.1 tp -80.03 -40.29 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 3.94 110.635 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.6 29.26 13.13 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.612 -0.722 . . . . 6.83 111.177 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -127.52 -56.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 5.02 111.126 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 253' ' ' ARG . . . . . 0.424 ' HG2' HD23 ' A' ' 250' ' ' LEU . 5.2 mmp_? -74.47 143.94 44.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 5.82 111.172 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.47 168.6 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 3.22 110.891 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.4 mp -105.53 111.51 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 2.02 110.838 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.95 103.01 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 2.91 110.795 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.669 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -125.44 168.34 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.46 111.006 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.6 t -78.37 -13.48 59.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 2.32 110.194 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -111.73 154.52 24.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.3 110.575 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.902 . . . . 4.59 111.21 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.443 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.748 0.309 . . . . 32.91 111.111 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -158.07 -55.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 30.03 111.246 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -81.57 -13.7 57.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 29.61 111.076 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -60.07 -56.42 21.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 26.81 110.98 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -103.28 124.72 49.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 25.62 110.844 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.51 -179.66 38.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.814 -0.708 . . . . 23.39 112.475 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -163.53 -54.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 23.38 111.055 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.1 68.46 0.32 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.712 -0.756 . . . . 19.99 112.726 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.44 -15.68 63.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 19.34 110.568 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -75.08 -22.16 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 18.14 110.762 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -115.97 -9.39 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 18.74 110.703 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.63 166.71 25.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.744 -0.741 . . . . 16.42 112.444 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.32 100.41 1.23 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.497 2.132 . . . . 15.7 112.234 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -82.5 148.15 28.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 15.32 111.02 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -134.73 129.63 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 15.63 111.09 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -65.07 -12.25 48.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 11.72 110.737 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.68 -38.92 62.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 12.77 111.242 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -83.22 -2.25 55.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 15.94 111.418 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.87 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 12.96 110.896 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 91.6 m-85 -114.8 122.14 34.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.55 110.756 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 20' ' ' PHE . 36.3 Cg_exo -61.84 -3.39 3.63 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.62 2.213 . . . . 9.69 112.545 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 27' ' ' ARG . 1.9 mp -68.5 -42.29 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 8.17 110.196 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.18 36.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.702 -0.681 . . . . 9.4 110.386 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.43 -11.31 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 13.28 110.397 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.23 59.63 2.13 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.877 -0.678 . . . . 8.88 112.512 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -170.56 48.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 8.92 110.862 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.537 ' HA ' ' HB ' ' A' ' 198' ' ' THR . 16.9 ptm180 -92.01 -6.23 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 9.6 110.444 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.848 -0.614 . . . . 6.33 110.779 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 p -115.65 98.51 51.01 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.423 -0.353 . . . . 3.57 111.29 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . 34.8 Cg_endo -66.06 128.17 19.1 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.527 2.151 . . . . 2.88 112.49 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 32' ' ' ASP . 21.7 t -127.07 166.18 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.03 -0.532 . . . . 2.26 110.26 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.525 ' N ' HG12 ' A' ' 31' ' ' VAL . 13.1 t70 -88.8 98.46 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.885 0.374 . . . . 2.44 110.5 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -81.5 137.63 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.04 129.31 55.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 1.51 111.051 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -80.16 -34.59 37.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.847 -0.615 . . . . 1.95 110.807 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -64.46 -39.86 94.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 3.43 110.736 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.2 p -81.46 -21.59 38.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 1.73 110.869 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.02 152.76 31.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.513 . . . . 1.29 111.089 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -132.89 128.71 37.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.398 -0.365 . . . . 3.53 110.799 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 41.4 p90 -94.55 134.74 36.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 4.17 110.983 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.529 ' H ' ' HA ' ' A' ' 258' ' ' SER . 3.3 p30 -130.19 127.42 22.58 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.243 -0.435 . . . . 3.04 110.972 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.09 32.74 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.445 2.096 . . . . 2.3 112.55 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -66.62 -17.83 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 3.07 111.233 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.621 HD11 ' HA3' ' A' ' 81' ' ' GLY . 52.2 tp -132.35 124.59 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 3.08 111.053 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -108.74 138.91 20.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 4.28 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.75 125.45 17.26 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.219 1.946 . . . . 2.41 111.743 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -103.5 -66.39 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 5.24 110.695 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.8 m -135.72 109.83 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 2.67 110.768 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG22 HD12 ' A' ' 79' ' ' LEU . 45.7 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 2.44 111.363 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -113.53 149.02 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 2.58 110.467 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -175.06 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 4.87 111.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.86 -25.55 63.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 4.17 110.429 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.55 -15.66 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 4.62 110.841 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -53.53 125.27 17.48 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.268 -0.424 . . . . 1.97 110.873 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 m -125.59 143.3 51.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 1.9 111.468 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.4 t -96.41 153.9 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 1.87 110.501 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 71' ' ' ASP . 57.9 mt -92.04 -38.78 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 3.58 111.138 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 172' ' ' SER . 11.1 ptm180 -179.49 162.12 1.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.213 -0.449 . . . . 4.62 111.075 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.465 HG12 HG12 ' A' ' 68' ' ' VAL . 50.3 mt -122.57 103.35 13.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 1.72 110.386 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 61' ' ' ASN . 3.3 tm? -113.71 133.87 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 2.58 110.765 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 m-20 -107.8 155.13 20.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 1.94 110.722 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 3.13 110.895 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.24 -4.22 64.65 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.683 -0.77 . . . . 2.64 112.03 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -139.47 -68.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 4.34 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.79 154.56 34.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 2.12 111.071 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -164.65 145.12 7.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 3.39 110.47 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' HB2' ' OE1' ' A' ' 92' ' ' GLN . 1.8 m-20 -81.17 143.37 32.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 2.57 110.671 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 59' ' ' ILE . 3.7 m -76.04 116.78 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 1.95 111.278 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 10.5 pt-20 -100.12 147.8 25.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 3.84 111.107 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.55 175.97 5.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 4.12 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HB2' HD21 ' A' ' 57' ' ' LEU . 20.8 t70 -64.38 132.03 48.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 3.04 110.835 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.52 -19.73 15.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 3.88 111.466 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -71.77 -14.74 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 3.2 111.015 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -131.34 -173.34 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 4.06 110.651 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.91 105.68 3.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 2.84 111.065 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 pttm -129.62 28.94 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 3.26 110.958 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -161.36 118.03 2.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 1.42 110.757 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.71 167.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 1.72 111.336 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 64.2 tp -148.26 124.87 11.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 2.3 111.219 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -157.56 138.94 13.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 2.67 110.823 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.621 ' HA3' HD11 ' A' ' 44' ' ' LEU . . . -91.79 -176.3 42.69 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.912 -0.661 . . . . 2.5 112.689 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.68 -88.86 0.02 OUTLIER Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.021 -0.609 . . . . 2.63 113.009 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' HD2' HD12 ' A' ' 44' ' ' LEU . 19.7 Cg_endo -59.81 -14.94 29.5 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.572 2.182 . . . . 4.13 112.586 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.447 HD12 ' HA3' ' A' ' 81' ' ' GLY . 75.1 mt -71.8 132.6 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 3.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.4 65.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 5.04 110.513 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.65 92.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.969 -0.634 . . . . 1.92 112.161 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -61.73 141.56 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 1.68 111.55 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 77.3 m-85 -112.03 117.3 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 3.43 110.635 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -88.7 138.55 31.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 3.79 111.046 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.522 HD23 HD11 ' A' ' 120' ' ' LEU . 6.6 mp -85.34 131.5 34.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 2.52 110.571 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.2 mp -103.18 -68.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.469 -0.332 . . . . 2.47 111.216 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 91' ' ' ILE . 9.6 pt20 -159.39 161.8 35.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 2.41 111.187 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.437 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 36.1 p90 -142.73 163.16 33.56 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.843 0.354 . . . . 1.57 110.833 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.6 p-80 -130.51 168.2 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 1.29 110.805 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -128.9 143.12 50.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.19 111.587 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -96.68 170.79 8.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.948 -0.569 . . . . 1.68 110.22 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -148.74 106.28 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.655 -0.248 . . . . 5.75 110.96 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.94 161.39 3.86 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.897 -0.668 . . . . 3.04 112.718 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.1 t -77.17 -28.29 54.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 4.29 111.017 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 103' ' ' GLN . 52.1 tp -89.47 153.35 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 5.2 110.757 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.73 39.74 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 5.33 111.009 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.84 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 4.18 112.538 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.2 pt20 -164.58 162.4 21.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 4.67 111.064 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.0 62.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.74 -0.743 . . . . 1.95 112.722 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -101.02 177.28 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.697 0.284 . . . . 2.04 110.722 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 43.0 mt-10 -80.97 -73.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 2.64 110.986 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -66.7 172.66 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 2.11 110.827 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.6 m -153.17 98.36 2.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.45 HG22 ' HE2' ' A' ' 114' ' ' TYR . 21.3 m -95.64 145.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 2.24 111.331 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.9 t70 53.17 32.77 13.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 2.18 110.937 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 24.94 10.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 3.37 111.391 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -121.2 117.93 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 3.86 110.853 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -89.11 147.77 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 2.57 110.693 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HE2' HG22 ' A' ' 109' ' ' VAL . 70.7 m-85 -112.68 174.31 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 2.18 110.908 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -72.75 -43.15 63.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 1.72 110.76 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -167.43 177.89 5.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.568 . . . . 1.55 110.743 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 49.4 mt-10 -150.04 136.6 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 2.4 110.902 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 147' ' ' LEU . 3.6 pp -86.55 147.87 25.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.08 -0.341 . . . . 2.07 110.08 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.578 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 12.5 m170 -120.3 113.58 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 1.71 111.411 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 90' ' ' LEU . 7.0 tt -104.3 131.78 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 2.51 110.764 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.427 ' N ' HD23 ' A' ' 120' ' ' LEU . 10.5 t -113.88 123.87 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 1.83 111.284 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -131.79 109.55 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 2.43 110.899 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -90.84 142.83 27.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.339 -0.391 . . . . 3.95 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -62.18 128.58 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 2.19 110.495 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.8 p -68.97 -14.7 63.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 1.77 111.606 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -66.66 -27.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 3.65 110.801 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -96.84 -12.02 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 4.38 110.849 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.48 -60.19 4.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.744 . . . . 2.22 112.556 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -136.36 163.28 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 3.07 110.995 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 30.8 p90 -61.44 -19.4 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 3.08 111.15 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.42 -46.91 93.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.613 -0.804 . . . . 2.36 112.607 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -89.78 -17.45 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 3.63 111.0 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -74.1 -41.62 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 1.73 111.35 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 130' ' ' PHE . 22.0 m -61.52 -11.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 2.3 111.699 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -72.18 -26.7 62.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 3.84 110.607 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -112.96 151.07 43.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.733 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.48 -31.27 61.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.525 2.15 . . . . 2.44 112.05 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -107.66 10.34 29.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.64 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -55.63 -42.36 84.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.878 -0.677 . . . . 1.49 112.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.5 pt? -140.23 146.68 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 1.76 111.176 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 156.68 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 0.98 110.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.39 116.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 1.3 111.915 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 63.8 tp -85.64 140.02 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 2.1 110.343 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.49 135.49 8.08 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.513 -0.851 . . . . 1.4 112.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.5 mt -126.7 142.41 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.53 110.61 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 72.9 m-85 -81.9 160.05 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 4.48 111.195 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 118' ' ' LEU . 79.4 mt -141.36 96.69 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.007 -0.542 . . . . 3.25 110.84 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -115.14 150.1 36.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 4.32 110.989 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.16 152.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 3.13 110.981 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.88 -176.85 18.18 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.639 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m 66.03 138.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.021 0.438 . . . . 3.85 111.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.65 166.47 21.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 3.82 111.148 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 39.7 ttmt -108.15 138.77 20.22 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.462 . . . . 5.19 110.656 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 27.1 Cg_exo -62.65 0.24 1.59 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.666 2.244 . . . . 3.09 112.764 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.31 34.14 4.31 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.589 -0.815 . . . . 2.71 113.086 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 159' ' ' VAL . 4.0 mm? -106.51 21.62 17.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 3.94 110.48 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.11 -43.05 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 3.55 111.495 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -61.16 -36.41 79.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 4.82 111.229 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 156' ' ' LEU . 84.3 t -63.12 -43.68 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 3.12 111.459 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.78 -13.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.467 -0.333 . . . . 3.14 111.6 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -55.24 -19.41 8.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.953 0.406 . . . . 3.01 111.173 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 176' ' ' THR . 11.2 p -56.35 -17.91 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 2.46 111.974 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -60.8 -26.68 67.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 2.31 111.404 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.69 -12.23 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 2.42 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.4 t -77.37 -27.56 52.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 1.85 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 171' ' ' LYS . 3.1 mp -101.7 51.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 2.44 111.362 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -54.53 -48.3 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 3.75 110.253 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.0 p -100.43 154.65 18.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.821 -0.627 . . . . 2.36 110.613 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 239' ' ' LEU . 11.7 mptt -79.72 143.2 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 3.46 110.69 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 6.82 23.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 2.2 112.681 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 166' ' ' ILE . 17.7 tppt? -108.77 152.21 25.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 3.33 110.628 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.599 ' HB3' HH21 ' A' ' 58' ' ' ARG . 88.5 p -96.86 146.0 25.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 2.27 110.81 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -98.24 144.16 27.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 1.89 111.617 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.76 158.22 22.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.589 . . . . 3.74 110.989 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -47.66 105.04 0.06 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.099 -0.5 . . . . 4.47 110.896 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.601 HG21 HG11 ' A' ' 162' ' ' VAL . 51.6 p -144.52 -172.63 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 4.59 111.398 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 59.6 t30 57.92 57.02 4.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.773 -0.648 . . . . 6.35 111.314 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -105.25 128.47 53.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 4.67 110.817 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.66 77.33 47.41 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 3.92 111.098 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.73 -8.23 22.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 4.59 112.216 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -82.93 -6.77 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 8.64 111.088 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -79.6 62.91 4.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.759 -0.734 . . . . 3.43 112.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 183' ' ' LEU . 6.6 mp -86.37 12.43 10.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 5.71 110.623 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -52.67 147.77 14.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 4.53 111.128 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.46 133.22 14.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.526 2.151 . . . . 3.71 112.512 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.18 -11.21 59.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 6.38 111.059 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 65.0 p -71.21 94.8 1.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.455 . . . . 5.07 110.98 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.628 ' HG ' ' H ' ' A' ' 189' ' ' ASP . 7.3 tp -165.56 -161.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 4.32 110.482 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.628 ' H ' ' HG ' ' A' ' 188' ' ' LEU . 11.1 m-20 -111.42 -179.1 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 3.78 110.847 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 258' ' ' SER . 27.6 p90 -169.85 149.98 3.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.353 -0.385 . . . . 3.36 110.707 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 21.8 m95 -72.51 144.77 47.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 4.16 110.788 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.516 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 4.8 t -152.41 129.79 11.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.455 -0.338 . . . . 1.5 111.411 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -156.51 127.67 3.66 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.333 -0.394 . . . . 2.91 110.841 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.35 133.75 16.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.376 2.051 . . . . 1.48 112.355 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -108.48 165.8 12.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 1.64 112.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 14.3 m -116.41 -173.94 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.382 -0.229 . . . . 2.75 110.382 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.452 ' HB2' HD23 ' A' ' 203' ' ' LEU . 7.1 tp -68.42 -154.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.678 -0.237 . . . . 5.98 110.46 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 198' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 27' ' ' ARG . 5.8 t -80.43 -6.65 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.088 0.47 . . . . 5.3 110.583 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 28.3 p -106.08 165.51 12.89 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.705 -0.68 . . . . 4.96 110.496 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 82.4 Cg_exo -43.31 163.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.581 2.187 . . . . 5.64 112.478 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -37.4 95.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.942 2.428 . . . . 6.0 113.103 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.15 -54.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.949 -0.569 . . . . 5.41 110.538 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 197' ' ' LEU . 4.0 mm? -90.44 167.0 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 5.02 110.746 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.51 44.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 3.98 111.221 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -98.48 12.36 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.061 0.458 . . . . 2.48 110.155 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.35 133.92 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.568 -0.742 . . . . 1.8 111.128 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 27.0 m -113.15 141.57 46.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 1.27 110.603 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' TRP . . . . . 0.481 ' HH2' ' HE2' ' A' ' 119' ' ' HIS . 26.8 t-105 -102.62 108.27 19.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 2.43 110.549 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -112.18 150.11 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 1.45 110.82 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 94.1 t -127.69 122.14 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 2.12 110.867 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.645 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 40.9 tp -56.64 143.53 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 3.85 110.721 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.742 ' HD2' ' H ' ' A' ' 212' ' ' LYS . 0.0 OUTLIER -62.77 -21.73 66.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 5.85 111.25 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.645 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 36.8 tt0 -133.78 84.35 44.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 5.91 110.804 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.24 134.34 63.62 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.556 2.171 . . . . 3.58 112.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.1 mt -74.74 147.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.5 . . . . 4.42 110.89 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 84.3 p -134.26 144.51 48.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.976 0.417 . . . . 3.53 111.245 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 218' ' ' SER . 13.5 p -101.67 159.78 4.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 2.45 110.295 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 217' ' ' VAL . 70.4 m -103.99 150.55 24.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 3.39 111.051 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 79.7 p -60.51 -18.0 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 2.82 110.833 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.0 -22.71 27.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 4.51 110.753 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -77.43 -28.68 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 3.92 111.094 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.24 -20.43 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 2.44 111.149 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 219' ' ' SER . 94.3 mt -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 2.8 110.807 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.28 -14.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 3.78 110.951 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -77.02 -22.38 53.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 3.33 110.551 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -70.31 -5.79 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 4.82 111.219 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -69.06 -25.92 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 3.25 110.927 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.04 162.22 29.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 2.93 110.845 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 229' ' ' ASN . . . . . 0.487 ' H ' ' NZ ' ' A' ' 169' ' ' LYS . 58.5 m-20 -111.4 145.94 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.92 111.268 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.446 ' HB2' ' HG3' ' A' ' 240' ' ' MET . 34.6 p90 -96.63 -15.16 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.085 -0.507 . . . . 5.3 110.914 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.433 ' N ' ' HB2' ' A' ' 238' ' ' GLU . 27.6 t-20 177.71 137.03 0.07 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.914 -0.585 . . . . 4.3 110.601 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -127.17 158.25 20.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.594 -0.812 . . . . 4.09 112.191 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -85.82 143.69 28.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 7.57 110.755 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 63.77 12.59 48.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.804 -0.712 . . . . 6.31 112.585 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.91 152.85 73.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.43 0.157 . . . . 5.7 110.809 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -51.32 162.73 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.455 2.104 . . . . 6.54 112.358 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.81 143.98 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 6.78 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 238' ' ' GLU . . . . . 0.433 ' HB2' ' N ' ' A' ' 231' ' ' ASN . 13.3 mm-40 -111.95 159.32 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 5.03 110.883 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.49 ' HB3' ' HE2' ' A' ' 169' ' ' LYS . 55.9 tp -56.63 102.45 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 5.11 111.447 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.446 ' HG3' ' HB2' ' A' ' 230' ' ' PHE . 58.5 ttp -100.15 147.05 26.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 5.21 110.336 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.55 126.61 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 3.44 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -173.5 37.31 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.392 -0.367 . . . . 3.67 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -83.87 55.76 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 3.74 110.966 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -106.56 134.24 50.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.545 . . . . 3.25 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.428 ' HB3' ' HG3' ' A' ' 30' ' ' PRO . 21.7 mmm180 -140.73 153.86 68.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 3.78 110.843 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.42 173.11 4.59 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.553 2.169 . . . . 2.43 112.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 247' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -161.45 43.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 3.18 110.786 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 125.58 80.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 5.35 110.817 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.29 128.01 15.81 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.392 2.062 . . . . 4.02 112.41 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.12 -35.5 42.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 3.94 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.6 tptm 63.22 25.89 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.782 -0.645 . . . . 6.83 110.034 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -127.0 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 5.02 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -71.12 156.39 39.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 5.82 111.334 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -115.5 162.95 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.564 . . . . 3.22 110.764 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.418 HG21 HG23 ' A' ' 33' ' ' ILE . 6.1 tp -116.09 126.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 2.02 110.946 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -96.7 151.15 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 2.91 110.929 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.72 172.48 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 1.46 111.23 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 258' ' ' SER . . . . . 0.529 ' HA ' ' H ' ' A' ' 41' ' ' ASP . 48.4 t -115.02 -13.69 11.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 2.32 110.634 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.44 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 92.7 t80 -111.71 147.42 35.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 3.3 110.592 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.212 -0.899 . . . . 4.59 110.926 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 302' ' ' AZM . . . . . 1.457 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.661 0.267 . . . . 32.91 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t 61.59 107.08 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.062 -0.517 . . . . 30.03 111.148 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -144.37 -58.63 0.37 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 29.61 111.199 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -86.25 121.03 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 26.81 110.96 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.4 m-90 -94.33 134.43 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 25.62 110.853 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.85 -178.56 37.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 23.39 112.492 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -124.61 -56.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 23.38 110.842 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.88 -62.13 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 19.99 112.513 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.39 -20.83 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 19.34 110.905 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.07 -22.99 52.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 18.14 110.548 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.19 9.13 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 18.74 111.013 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.37 166.04 24.57 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.537 -0.84 . . . . 16.42 112.667 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 83.68 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.653 2.235 . . . . 15.7 112.434 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -172.92 132.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 15.32 110.762 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -168.35 38.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 15.63 111.214 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -64.61 -40.03 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 11.72 110.931 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -74.24 -14.91 60.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 12.77 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -76.69 -18.17 58.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 15.94 110.918 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.56 -54.64 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 12.96 110.684 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 91.1 m-85 -133.25 139.9 35.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 10.55 110.387 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' PHE . 17.2 Cg_exo -66.64 7.67 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.753 2.302 . . . . 9.69 113.177 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.767 HG21 ' HA ' ' A' ' 201' ' ' PRO . 4.1 mm -63.29 -39.37 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 8.17 110.543 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.94 -31.57 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 9.4 110.794 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.69 -12.13 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 13.28 110.036 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 73.32 0.16 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.599 -0.728 . . . . 8.88 112.081 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.99 -88.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.612 0.244 . . . . 8.92 111.198 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 58.17 22.44 9.12 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.132 0.491 . . . . 9.6 110.313 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.47 -45.4 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 6.33 110.984 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 48.8 m -78.44 137.49 59.58 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.231 -0.441 . . . . 3.57 111.259 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 16.2 Cg_exo -69.02 136.33 34.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.814 2.342 . . . . 2.88 112.45 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.625 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.5 p -131.18 175.5 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.496 . . . . 2.26 110.76 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 31' ' ' VAL . 21.2 t70 -86.39 98.58 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.44 110.332 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.538 HG23 HG12 ' A' ' 255' ' ' ILE . 2.4 mp -73.5 134.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 1.53 111.265 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.502 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.7 m-20 -112.77 129.01 56.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 1.51 110.787 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 m -73.44 -17.39 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 1.95 110.502 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.33 -38.42 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 3.43 111.247 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 34' ' ' ASP . 9.8 t -75.72 -22.38 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.36 . . . . 1.73 111.156 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.95 147.69 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 1.29 110.751 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -105.48 151.23 24.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.951 0.405 . . . . 3.53 111.398 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.552 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 91.9 t80 -87.86 112.22 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.819 -0.628 . . . . 4.17 110.538 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -111.06 99.05 41.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.446 -0.343 . . . . 3.04 111.16 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.75 3.83 7.43 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.449 2.1 . . . . 2.3 112.382 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -69.93 -45.62 67.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 3.07 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.569 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 80.4 mt -70.83 157.9 37.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 3.08 110.801 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -106.79 155.93 38.15 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 4.28 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.25 125.88 11.0 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.486 2.124 . . . . 2.41 112.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 80' ' ' LYS . 21.7 tp -63.75 85.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 5.24 110.939 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.6 m -72.6 109.56 6.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 2.67 110.316 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.19 124.58 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.461 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.6 m -93.69 144.92 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 2.58 110.239 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -168.85 40.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 4.87 111.157 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.16 -28.41 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 4.17 110.218 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -109.83 5.55 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 4.62 110.816 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -58.36 120.89 9.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 1.97 110.858 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 178' ' ' PHE . 57.6 m -157.34 142.63 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 1.9 111.043 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.8 p -91.4 156.44 17.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.596 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 46.6 tp -104.66 -39.09 6.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 3.58 111.254 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -175.95 139.09 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.394 -0.366 . . . . 4.62 111.23 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 tt -121.65 103.54 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.171 0.51 . . . . 1.72 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.64 175.88 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 2.58 111.321 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.442 HD22 ' HG3' ' A' ' 169' ' ' LYS . 2.9 m-20 -116.36 158.67 23.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.818 -0.628 . . . . 1.94 110.455 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -106.37 23.77 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.415 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.07 14.43 82.25 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.279 -0.963 . . . . 2.64 111.976 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -167.61 -53.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 4.34 110.76 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.09 145.72 48.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 2.12 110.733 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -120.82 136.45 54.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 3.39 111.695 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 87.9 m-20 -133.39 153.21 51.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.841 -0.618 . . . . 2.57 110.43 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 93' ' ' PHE . 2.3 t -89.48 124.54 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.599 -0.273 . . . . 1.95 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -104.84 132.27 51.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 3.84 110.954 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -103.63 164.65 11.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 4.12 110.829 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 13.8 t70 -90.04 150.66 22.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.378 -0.374 . . . . 3.04 110.83 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.87 31.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 3.88 111.249 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 t -74.52 -45.01 48.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 3.2 110.94 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -147.97 -169.84 3.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 4.06 110.756 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.18 -21.2 58.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 2.84 110.407 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 71' ' ' ASP . 1.8 mptm? 61.05 -84.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 3.26 111.484 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -135.38 134.03 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 1.42 111.371 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.91 158.44 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 1.72 110.944 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 10.0 mp -113.46 120.74 42.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.412 -0.358 . . . . 2.3 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.47 ' NZ ' HD11 ' A' ' 84' ' ' LEU . 32.4 mmmt -127.33 163.53 23.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.287 -0.415 . . . . 2.67 110.774 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.31 176.3 28.83 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.701 -0.761 . . . . 2.5 112.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 44' ' ' LEU . . . 54.0 -151.36 12.59 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.739 -0.743 . . . . 2.63 112.069 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD3' HD13 ' A' ' 44' ' ' LEU . 36.1 Cg_exo -58.06 87.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.228 1.952 . . . . 4.13 111.373 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.47 HD11 ' NZ ' ' A' ' 80' ' ' LYS . 23.2 tp -66.04 131.47 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 3.0 111.756 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -158.49 36.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.91 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.41 126.61 5.88 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.862 -0.685 . . . . 1.92 111.969 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 t -49.13 125.66 11.14 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 1.68 111.314 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 85.7 m-85 -87.18 124.44 33.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.066 -0.515 . . . . 3.43 111.419 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -103.42 149.63 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 3.79 110.569 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.5 tp -87.29 136.0 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 2.52 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -112.92 -63.87 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.347 -0.388 . . . . 2.47 110.983 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 67' ' ' ASN . 4.1 pt20 -159.24 154.55 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 2.41 110.756 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.533 ' O ' HG23 ' A' ' 68' ' ' VAL . 35.0 p90 -150.17 168.05 25.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.742 0.306 . . . . 1.57 111.039 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 22.8 p-80 -137.27 168.25 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.29 110.445 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' HA ' HD22 ' A' ' 118' ' ' LEU . 37.7 m-85 -111.26 160.34 17.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.056 0.455 . . . . 3.19 112.102 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -127.38 170.97 11.95 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.742 -0.663 . . . . 1.68 110.323 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.493 ' HE1' HG13 ' A' ' 222' ' ' VAL . 38.6 t90 -173.06 100.47 0.13 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.791 0.329 . . . . 5.75 110.936 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.34 169.7 2.81 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.882 -0.675 . . . . 3.04 112.484 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.8 m -68.27 -31.29 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.292 . . . . 4.29 111.199 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.24 133.25 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 5.2 110.594 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.88 30.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 5.33 110.801 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.85 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.882 -0.675 . . . . 4.18 112.351 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 55.9 mt-30 -145.63 133.92 21.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.904 0.383 . . . . 4.67 111.099 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.24 58.49 0.03 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.761 -0.733 . . . . 1.95 112.709 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -100.88 -174.43 2.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 2.04 110.851 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG3' ' HB2' ' A' ' 245' ' ' ARG . 36.3 tt0 -84.83 -80.76 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 2.64 110.725 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -86.71 168.73 13.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 2.11 110.4 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 113' ' ' LYS . 66.2 p -138.7 122.01 17.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.88 111.151 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.9 m -104.37 151.51 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 2.24 110.8 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 54.69 32.76 17.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.18 110.424 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 58.58 25.12 12.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 3.37 111.186 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -121.99 144.39 48.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 3.86 110.809 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' THR . 25.1 ttmm -109.44 151.28 26.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 2.57 110.955 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.38 169.46 8.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.27 -0.423 . . . . 2.18 110.721 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -65.72 -50.01 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.689 0.28 . . . . 1.72 111.35 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.84 -177.6 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 1.55 111.068 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -152.19 120.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 2.4 110.609 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 95' ' ' PHE . 39.4 mt -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 2.07 111.132 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.2 m170 -105.8 104.16 13.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.152 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 120' ' ' LEU . 6.6 mp -113.8 110.81 20.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 2.51 110.67 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.04 147.44 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 1.83 111.297 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -131.69 120.17 22.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.817 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.552 ' HB2' HG12 ' A' ' 91' ' ' ILE . 10.1 m95 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 3.95 110.987 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.509 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 27.3 p-10 -57.06 129.76 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 2.19 110.754 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.0 t -63.0 -14.72 51.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.989 0.423 . . . . 1.77 111.297 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.509 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 0.1 OUTLIER -58.31 -13.96 6.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.655 -0.702 . . . . 3.65 111.361 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.472 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -77.17 -29.75 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 4.38 111.457 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.24 -65.51 2.69 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.539 -0.839 . . . . 2.22 112.167 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.32 163.23 31.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 3.07 110.895 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -55.18 -43.7 74.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.369 . . . . 3.08 111.392 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.64 -27.4 27.07 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.981 -0.628 . . . . 2.36 112.931 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 75.9 mmtt -89.52 -32.18 17.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.763 0.316 . . . . 3.63 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 140' ' ' LEU . . . -58.73 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 1.73 110.539 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.82 -22.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 2.3 111.101 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -80.94 -21.0 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 3.84 111.056 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -116.28 96.1 46.78 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.397 -0.365 . . . . 3.22 110.762 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' A' ' 204' ' ' GLU . 31.8 Cg_exo -58.29 -44.94 34.19 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.493 2.129 . . . . 2.44 112.584 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.44 15.55 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.408 . . . . 2.64 111.198 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.35 12.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.721 . . . . 1.49 112.507 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 140' ' ' LEU . 2.3 mm? -110.4 122.51 47.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 1.76 110.72 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.33 123.29 41.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.384 . . . . 0.98 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 207' ' ' THR . 40.2 t -90.53 117.87 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.3 111.064 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 79' ' ' LEU . 55.3 tp -85.93 132.46 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 2.1 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -112.4 135.46 12.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 1.4 112.692 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.39 104.27 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 1.53 110.894 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.426 ' O ' HD23 ' A' ' 147' ' ' LEU . 85.5 m-85 -70.42 153.17 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 4.48 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.432 HD11 HD21 ' A' ' 118' ' ' LEU . 68.6 mt -128.52 135.75 49.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 3.25 110.752 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -138.72 143.21 38.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 4.32 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.38 130.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.399 . . . . 3.13 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 142.34 160.25 8.27 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.72 . . . . 3.15 112.072 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.9 t 58.93 77.31 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 3.85 110.543 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.69 161.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 3.82 111.462 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 157' ' ' GLN . 19.7 pttp -66.3 146.73 99.05 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.435 . . . . 5.19 110.733 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.6 19.62 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.522 2.148 . . . . 3.09 112.372 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.83 54.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.872 -0.68 . . . . 2.71 112.337 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.06 28.4 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 3.94 110.486 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 53.0 tt0 -52.5 -43.23 64.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.681 . . . . 3.55 111.47 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 4.82 111.083 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.46 -29.96 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 3.12 110.759 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.36 -22.19 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 3.14 110.926 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -80.35 -19.61 46.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 3.01 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 40.1 t -56.65 -30.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 2.46 111.124 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -32.47 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 2.31 111.111 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.23 -14.26 4.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 2.42 110.734 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -84.58 -31.09 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.075 -0.511 . . . . 1.85 111.03 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -133.77 45.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.016 0.436 . . . . 2.44 111.048 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 227' ' ' LYS . 79.1 tttt -78.55 -45.95 20.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 3.75 111.118 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.3 p -91.33 149.9 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 2.36 111.078 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.5 OUTLIER -80.62 147.28 30.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.988 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.34 -19.91 21.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.938 -0.649 . . . . 2.2 112.435 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -109.33 155.95 20.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 3.33 110.81 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 95.0 p -125.16 164.34 20.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -168.02 135.01 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.331 -0.395 . . . . 1.89 111.063 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.85 137.52 32.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 3.74 110.878 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -146.31 115.35 6.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.371 -0.377 . . . . 4.47 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.2 p -110.78 179.62 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 4.59 110.591 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.65 48.41 18.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 6.35 111.245 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' PHE . . . . . 0.588 ' H ' HG23 ' A' ' 55' ' ' THR . 41.3 t80 -111.56 114.05 26.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 4.67 110.652 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.44 82.86 12.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 3.92 111.225 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.36 -44.37 1.14 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 4.59 112.004 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -87.25 -9.35 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 8.64 110.633 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -55.19 -29.01 51.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.634 -0.793 . . . . 3.43 112.377 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 183' ' ' LEU . 7.1 mp -105.86 -13.89 15.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 5.71 110.836 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.22 138.81 45.33 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.438 . . . . 4.53 110.998 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.63 146.41 16.88 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.648 2.232 . . . . 3.71 112.439 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.56 -12.01 59.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 6.38 111.428 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.9 t 59.11 -173.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.272 -0.422 . . . . 5.07 110.966 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.77 -92.03 0.49 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 4.32 110.704 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 259' ' ' PHE . 5.7 p-10 -61.33 165.69 4.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.593 -0.276 . . . . 3.78 110.53 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -169.45 171.12 7.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.448 . . . . 3.36 111.25 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.577 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 2.6 m-90 -131.1 147.68 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 4.16 109.826 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.3 t -143.69 141.24 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 1.5 111.995 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -121.1 87.56 44.02 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.819 -0.628 . . . . 2.91 110.247 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' PRO . . . . . 0.476 ' HA ' HG23 ' A' ' 207' ' ' THR . 59.0 Cg_exo -50.55 129.5 26.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.575 2.183 . . . . 1.48 112.493 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.6 -156.05 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 1.64 112.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 90.0 p -151.13 178.18 9.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 2.75 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.54 162.97 28.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 5.98 110.663 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 69.8 p -84.85 16.46 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.046 -0.524 . . . . 5.3 111.037 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 62.7 p -103.29 158.85 30.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 4.96 111.173 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.71 160.65 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.752 2.301 . . . . 5.64 112.807 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' PRO . . . . . 0.767 ' HA ' HG21 ' A' ' 22' ' ' ILE . 77.6 Cg_exo -49.24 98.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.707 2.271 . . . . 6.0 112.607 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.443 ' N ' HG13 ' A' ' 22' ' ' ILE . 38.5 tp -172.75 -28.84 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.262 -0.426 . . . . 5.41 111.301 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.52 156.08 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.071 0.462 . . . . 5.02 111.403 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 137' ' ' PRO . 11.6 pt-20 -166.95 43.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.665 -0.698 . . . . 3.98 110.331 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 205' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 137' ' ' PRO . 68.0 m -88.64 14.3 10.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 2.48 110.706 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.57 110.78 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 1.8 111.222 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 194' ' ' PRO . 11.4 m -113.11 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.27 110.736 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -109.72 109.93 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 2.43 110.784 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' ILE . . . . . 0.495 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -108.59 145.89 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.45 110.678 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.99 136.49 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 2.12 111.059 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.646 ' HG ' ' H ' ' A' ' 212' ' ' LYS . 11.9 tp -76.2 -177.56 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 3.85 110.501 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 212' ' ' LYS . . . . . 0.646 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 64.3 tttm -61.56 -55.68 28.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.637 0.256 . . . . 5.85 111.09 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -165.84 70.25 1.24 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 5.91 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.7 126.9 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.549 2.166 . . . . 3.58 112.73 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 11.2 pt -154.72 114.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.033 -0.531 . . . . 4.42 110.736 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.3 m -135.36 102.64 5.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 3.53 111.494 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 90.4 t -146.07 136.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 2.45 110.879 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 218' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 222' ' ' VAL . 33.4 t -116.95 177.02 4.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.35 . . . . 3.39 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 37.4 t -80.35 -46.91 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 2.82 110.603 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.74 -18.53 58.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 4.51 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -72.18 -38.38 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 3.92 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.493 HG13 ' HE1' ' A' ' 97' ' ' TRP . 58.7 t -78.58 -27.19 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 2.44 111.233 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 226' ' ' ARG . 42.3 tp -63.93 -18.55 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 2.8 110.943 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -84.99 -31.57 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 3.78 111.015 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.66 -21.11 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 3.33 111.07 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' ARG . . . . . 0.441 ' HD3' HD12 ' A' ' 223' ' ' LEU . 75.5 mtp180 -68.17 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 4.82 110.72 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.512 ' HB2' ' NZ ' ' A' ' 167' ' ' LYS . 85.9 mttt -93.57 -15.14 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 3.25 110.828 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.62 158.45 4.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 2.93 110.986 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 229' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 238' ' ' GLU . 20.1 p-10 -139.23 138.3 36.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 2.92 111.117 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 230' ' ' PHE . . . . . 0.484 ' HA ' ' HG2' ' A' ' 240' ' ' MET . 72.7 t80 -61.22 -38.47 86.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.159 -0.473 . . . . 5.3 110.514 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 231' ' ' ASN . . . . . 0.576 HD21 ' HG3' ' A' ' 238' ' ' GLU . 94.6 m-20 -131.26 131.62 44.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 4.3 110.81 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -104.33 -142.0 11.37 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.833 -0.698 . . . . 4.09 112.54 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.39 147.56 30.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.833 0.349 . . . . 7.57 110.84 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 83.73 -9.09 63.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.764 -0.731 . . . . 6.31 112.17 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -138.81 155.1 73.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.347 0.117 . . . . 5.7 110.797 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.96 158.9 2.79 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.625 2.217 . . . . 6.54 112.417 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.49 92.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 6.78 111.008 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 238' ' ' GLU . . . . . 0.576 ' HG3' HD21 ' A' ' 231' ' ' ASN . 8.8 mm-40 -115.16 142.58 46.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 5.03 110.779 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 239' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 239' ' ' LEU . 8.2 mp -96.57 140.44 31.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 5.11 110.676 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 240' ' ' MET . . . . . 0.484 ' HG2' ' HA ' ' A' ' 230' ' ' PHE . 0.0 OUTLIER -82.71 44.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 5.21 110.523 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 241' ' ' VAL . . . . . 0.426 HG23 ' OD2' ' A' ' 242' ' ' ASP . 34.1 m -117.74 -173.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 3.44 111.387 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 241' ' ' VAL . 3.0 m-20 64.93 36.17 7.82 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 3.67 110.681 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -83.84 48.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 3.74 110.906 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -105.3 142.96 34.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 3.25 110.72 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 245' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 40.3 mmt180 -126.57 153.61 75.35 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 3.78 111.252 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.17 154.76 52.13 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.655 2.237 . . . . 2.43 112.622 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.22 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 3.18 110.721 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 248' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 54.2 tt0 -57.44 129.88 80.61 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.621 . . . . 5.35 110.987 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 249' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 22.8 Cg_exo -64.53 124.12 12.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.537 2.158 . . . . 4.02 112.224 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 250' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 31' ' ' VAL . 65.2 mt -78.75 -48.93 13.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.94 110.707 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -166.2 -65.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 6.83 110.697 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -153.56 -66.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.513 . . . . 5.02 110.717 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 63.6 137.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 5.82 111.532 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -102.6 135.54 44.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.061 -0.518 . . . . 3.22 110.764 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 255' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -102.48 129.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 2.02 111.226 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -88.68 87.16 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 2.91 110.588 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.86 167.43 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.46 111.396 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 95.7 p -86.96 -24.94 24.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 2.32 110.454 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 259' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 189' ' ' ASP . 61.3 t80 -111.82 164.22 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 3.3 110.376 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 260' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 68.2 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.189 -0.91 . . . . 4.59 111.266 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.378 0.132 . . . . 3.57 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 30.0 Cg_endo -63.91 125.05 14.58 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 2.88 112.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 249' ' ' PRO . 10.8 p -147.22 148.37 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 2.26 111.178 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.13 138.04 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 2.44 110.7 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HB ' HG12 ' A' ' 109' ' ' VAL . 3.5 mp -76.67 130.5 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.53 110.736 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 37' ' ' THR . 10.3 m-20 -113.45 124.91 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 1.51 111.309 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -80.37 -32.06 37.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.83 -0.623 . . . . 1.95 111.371 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -63.95 -37.85 88.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 3.43 111.569 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -87.37 -15.98 36.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 1.73 111.495 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.74 156.65 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 1.29 111.076 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -134.22 136.46 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 3.53 110.855 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -69.91 128.34 36.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 4.17 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.11 91.13 40.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 3.04 111.092 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.48 29.29 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.176 . . . . 2.3 112.525 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -77.27 -30.49 54.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.869 0.366 . . . . 3.07 110.898 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.23 160.65 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 3.08 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.48 114.92 63.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 4.28 110.78 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.77 125.78 17.43 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.263 1.975 . . . . 2.41 112.181 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -138.31 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 5.24 110.785 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.5 p -108.19 128.97 55.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 2.67 110.88 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.46 154.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 2.44 110.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -110.79 151.24 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 2.58 110.876 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -173.95 37.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 4.87 111.365 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.5 -29.09 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 4.17 110.727 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 76' ' ' LYS . 12.1 mm100 -92.74 -11.42 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.563 . . . . 4.62 111.359 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.533 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.68 120.44 5.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 1.97 111.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -156.65 145.55 20.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 1.9 111.374 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -93.46 164.13 13.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 1.87 110.714 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -122.62 -39.27 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 3.58 111.257 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.7 ptt180 -168.53 169.74 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 4.62 111.113 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.56 121.26 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 1.72 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 172' ' ' SER . 31.5 tp -112.4 139.66 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 2.58 110.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.8 m-20 -100.8 155.63 17.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.247 -0.433 . . . . 1.94 111.125 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -106.74 19.55 20.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 3.13 111.172 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 82.5 14.07 76.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.435 -0.888 . . . . 2.64 112.253 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -175.03 -49.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 4.34 110.603 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.83 137.68 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 2.12 110.467 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 55.4 p90 -126.04 155.49 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 3.39 111.612 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 94' ' ' HIS . 3.1 m-80 -129.27 151.49 49.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.629 -0.714 . . . . 2.57 109.976 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 17.7 m -85.85 129.65 37.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.704 0.288 . . . . 1.95 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.45 150.02 21.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 3.84 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -129.6 160.9 31.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 4.12 110.792 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.89 95.55 9.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.398 -0.365 . . . . 3.04 110.949 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 27.1 t70 -76.04 -1.26 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 3.88 110.94 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.3 p -70.82 -0.19 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 3.2 111.193 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' A' ' 53' ' ' GLN . 13.0 pt20 -144.6 177.82 8.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.323 -0.398 . . . . 4.06 111.068 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -88.74 77.99 7.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.206 -0.452 . . . . 2.84 111.196 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 41.5 mtmt -64.29 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 3.26 111.335 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -138.75 141.71 38.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 1.42 111.065 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.88 144.87 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.72 111.021 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.64 139.52 48.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 2.3 110.876 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -157.43 147.72 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.995 0.426 . . . . 2.67 110.97 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.17 127.92 1.9 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.973 -0.632 . . . . 2.5 112.035 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.74 -165.56 12.06 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.588 -0.815 . . . . 2.63 112.446 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.97 9.9 3.38 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.756 2.304 . . . . 4.13 112.585 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.31 149.1 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 3.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -105.01 17.31 24.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.357 -0.383 . . . . 5.04 111.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.23 143.87 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 1.92 112.614 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -66.06 156.7 33.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 1.68 111.064 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.521 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 91.1 m-85 -114.49 125.24 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 3.43 111.304 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -103.54 145.66 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 3.79 111.198 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -104.74 143.45 33.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 2.52 110.684 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -120.89 -46.04 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.526 0.565 . . . . 2.47 112.526 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.509 ' N ' HG12 ' A' ' 91' ' ' ILE . 26.5 pt20 -157.02 165.84 35.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.894 0.378 . . . . 2.41 111.675 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 44.7 p90 -156.48 161.78 40.01 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.045 -0.525 . . . . 1.57 110.891 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.416 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 p-80 -139.95 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 1.29 110.311 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.544 ' HB3' HD23 ' A' ' 118' ' ' LEU . 30.5 p90 -121.71 144.24 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 3.19 111.452 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 243' ' ' ASN . 11.0 m80 -94.9 173.84 7.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.984 -0.553 . . . . 1.68 109.939 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.573 ' HB2' ' HA ' ' A' ' 241' ' ' VAL . 10.5 m-90 -126.72 179.97 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.811 0.339 . . . . 5.75 111.126 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.7 158.38 21.8 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.998 -0.62 . . . . 3.04 112.408 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.6 m -84.67 -24.48 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.658 0.266 . . . . 4.29 111.291 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 5.2 111.099 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -87.21 38.12 0.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.042 -0.526 . . . . 5.33 111.105 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.8 -33.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.672 -0.775 . . . . 4.18 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -153.95 169.81 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 4.67 110.779 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.59 55.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.682 -0.77 . . . . 1.95 112.803 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 t -97.01 179.3 4.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.646 0.26 . . . . 2.04 110.58 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.74 -75.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 2.64 110.693 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.61 169.6 9.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.11 110.518 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.5 p -129.87 118.4 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 1.88 110.982 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 33' ' ' ILE . 25.5 m -103.0 150.02 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 2.24 111.097 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.4 t70 52.41 39.37 27.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 2.18 110.749 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 55.66 20.8 4.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 3.37 111.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -121.63 150.14 42.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 3.86 110.554 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -120.73 143.8 48.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 2.57 111.083 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.11 176.4 5.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 2.18 110.651 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.94 -44.22 13.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.724 0.297 . . . . 1.72 111.23 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.71 166.78 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.55 110.986 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 8.8 pt-20 -152.26 148.56 27.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.809 0.338 . . . . 2.4 111.315 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.606 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 96.2 mt -86.58 148.08 25.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 2.07 110.899 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -122.36 95.35 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.162 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.53 HD23 HD23 ' A' ' 143' ' ' LEU . 54.2 tp -99.15 108.95 21.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.378 . . . . 2.51 111.242 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -92.65 130.51 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.83 110.773 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.521 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 9.4 p80 -131.79 153.41 50.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 2.43 110.945 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -133.8 134.54 42.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 3.95 110.652 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -58.1 111.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 2.19 110.704 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 t -71.94 -14.98 62.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 1.77 111.36 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -64.06 -32.02 73.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 3.65 110.632 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -90.83 7.81 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.576 . . . . 4.38 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.88 -76.49 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 2.22 112.404 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.78 168.09 20.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 3.07 110.796 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -56.55 -23.13 38.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 3.08 110.806 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.32 91.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 2.36 112.154 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -89.8 -21.12 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 3.63 110.664 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.76 -39.4 57.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.059 -0.519 . . . . 1.73 111.095 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.48 -12.44 8.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 2.3 111.085 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.31 -14.41 61.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 3.84 110.858 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -138.2 156.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 3.22 110.7 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.36 -51.03 2.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.426 2.084 . . . . 2.44 112.577 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.08 27.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.05 -0.523 . . . . 2.64 111.524 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.07 -72.35 1.13 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.753 -0.737 . . . . 1.49 112.832 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.27 141.16 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 1.76 110.805 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.44 161.65 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.98 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.6 t -120.43 130.24 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 1.3 111.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 209' ' ' ILE . 41.8 tp -93.71 127.52 39.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.177 -0.465 . . . . 2.1 110.444 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -105.99 110.28 3.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.655 -0.783 . . . . 1.4 112.689 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 47.8 mm -100.82 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.627 0.251 . . . . 1.53 111.032 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -114.74 155.21 27.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 4.48 111.027 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 118' ' ' LEU . 78.3 mt -124.94 132.54 53.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 3.25 110.982 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 4.32 110.77 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 131.7 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 3.13 111.109 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -124.85 -14.12 3.51 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.681 -0.771 . . . . 3.15 112.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.1 m 62.38 15.09 7.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.98 0.419 . . . . 3.85 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -120.74 94.26 4.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 3.82 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -56.28 116.68 13.33 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.395 -0.366 . . . . 5.19 110.829 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.81 36.31 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.298 1.999 . . . . 3.09 112.609 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.23 56.13 3.31 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.686 -0.769 . . . . 2.71 112.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.522 HD22 HG21 ' A' ' 159' ' ' VAL . 84.7 mt -120.07 28.49 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 3.94 110.686 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -52.65 -46.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.904 -0.589 . . . . 3.55 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -64.14 -35.0 79.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 4.82 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.522 HG21 HD22 ' A' ' 156' ' ' LEU . 61.0 t -61.63 -25.99 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 3.12 110.959 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.67 -31.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 3.14 111.029 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.85 -44.73 72.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 3.01 110.895 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.76 -22.15 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 2.46 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -36.51 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.567 . . . . 2.31 111.322 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.47 -12.67 4.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 2.42 110.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.3 t -82.2 -31.85 30.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 1.85 111.393 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -103.88 51.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.179 0.514 . . . . 2.44 110.903 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.486 ' HA ' HD22 ' A' ' 228' ' ' LEU . 88.4 tttt -64.17 -41.99 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 3.75 110.951 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.5 p -106.67 148.85 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 2.36 111.155 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 2.4 mptp? -80.57 148.19 30.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 3.46 111.148 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.59 -9.63 26.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.931 -0.652 . . . . 2.2 112.514 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -108.08 176.42 5.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 3.33 111.238 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.425 ' HB3' HD12 ' A' ' 60' ' ' LEU . 91.9 p -142.12 168.39 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.869 -0.605 . . . . 2.27 111.053 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -155.95 125.13 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 1.89 110.744 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.34 121.35 16.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 3.74 111.103 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.569 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 45.5 t80 -144.58 109.01 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 4.47 110.508 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.0 t -114.42 -178.54 3.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 4.59 110.948 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.6 m120 61.68 56.82 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 6.35 111.246 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -96.3 150.21 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 4.67 110.443 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.47 78.38 11.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 3.92 111.285 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -78.59 -14.32 14.34 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.508 2.139 . . . . 4.59 112.156 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.22 -26.53 33.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 8.64 110.738 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.54 -19.86 36.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.743 . . . . 3.43 112.463 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 -13.08 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.547 0.213 . . . . 5.71 111.358 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 185' ' ' PRO . 46.2 tp -103.13 117.4 60.45 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.675 -0.239 . . . . 4.53 111.27 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.8 Cg_endo -80.04 169.27 17.94 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.483 2.122 . . . . 3.71 112.226 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.16 -43.15 61.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.582 -0.281 . . . . 6.38 111.111 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.2 t 59.09 101.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.846 0.355 . . . . 5.07 111.329 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 85.4 mt -98.99 -53.69 3.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 4.32 110.955 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 8.3 m-20 -104.93 153.08 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 3.78 110.595 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 211' ' ' LEU . 31.0 p90 -169.96 146.52 3.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.753 0.311 . . . . 3.36 111.034 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.586 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -72.57 170.24 14.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 4.16 110.248 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.2 t -147.39 166.76 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 1.5 111.572 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -162.64 75.8 2.04 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 2.91 110.637 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.73 161.16 44.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.461 2.107 . . . . 1.48 112.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 156.94 -148.62 18.65 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.664 -0.779 . . . . 1.64 112.638 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.744 0.307 . . . . 2.75 110.828 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.866 0.365 . . . . 5.02 111.115 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.48 27.33 5.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 3.98 110.425 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.91 35.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.917 -0.583 . . . . 2.48 110.735 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.06 125.31 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 1.8 111.578 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.48 149.16 33.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 1.27 110.499 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -113.93 108.41 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 2.43 110.974 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.601 ' HB ' HD12 ' A' ' 143' ' ' LEU . 7.9 mm -104.47 153.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 1.45 111.007 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 191' ' ' TRP . 3.0 p -142.2 123.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.393 . . . . 2.12 111.043 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 190' ' ' TYR . 86.8 mt -87.48 139.22 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 3.85 111.123 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.538 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 21.9 pttp -71.49 -11.87 61.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.529 . . . . 5.85 111.147 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 19.5 mm-40 -120.48 78.18 27.95 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.436 -0.347 . . . . 5.91 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.89 149.01 86.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.678 2.252 . . . . 3.58 112.114 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . 0.487 HD12 HD12 ' A' ' 118' ' ' LEU . 86.4 mt -68.95 130.28 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 4.42 110.656 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 48.2 t -81.75 142.92 32.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 3.53 111.423 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 67.2 t -142.0 140.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.636 . . . . 2.45 110.504 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 86.2 p -82.56 148.45 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.027 0.442 . . . . 3.39 111.115 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 97.6 p -65.85 -17.51 64.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.842 -0.617 . . . . 2.82 111.029 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.36 -27.96 61.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 4.51 110.75 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 3.92 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.4 -17.96 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 2.44 111.171 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.447 HD12 ' HD3' ' A' ' 226' ' ' ARG . 57.0 tp -64.67 -21.08 66.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 2.8 110.745 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -83.16 -35.57 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 3.78 110.892 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -70.21 -25.04 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 3.33 111.069 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 223' ' ' LEU . 77.0 mtp180 -61.0 -31.59 71.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 4.82 111.2 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -86.14 -15.17 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 3.25 111.38 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 167' ' ' LYS . 84.4 mt -76.73 162.1 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 2.93 111.135 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -81.54 165.84 20.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 2.92 111.123 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 231' ' ' ASN . 46.1 p90 -91.48 -4.94 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 5.3 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 230' ' ' PHE . 48.7 t-20 . . . . . 0 N--CA 1.462 0.173 0 CA-C-N 116.169 -0.469 . . . . 4.3 110.728 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.765 0.317 . . . . 5.11 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 19.2 ptp -86.52 2.59 47.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 5.21 111.205 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.8 p -66.64 144.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 3.44 111.09 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.78 38.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 3.67 110.256 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 96' ' ' HIS . 16.0 m120 -135.54 57.0 1.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 3.74 111.603 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -96.56 138.36 34.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 3.25 110.793 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.571 ' HD3' ' HD2' ' A' ' 246' ' ' PRO . 21.7 tpp180 -140.98 129.04 12.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 3.78 111.166 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.571 ' HD2' ' HD3' ' A' ' 245' ' ' ARG . 72.1 Cg_endo -75.43 166.9 27.75 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.338 2.025 . . . . 2.43 111.809 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -173.19 48.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.723 0.297 . . . . 3.18 111.65 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -57.79 130.43 82.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 5.35 110.525 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.589 ' HA ' HG23 ' A' ' 31' ' ' VAL . 83.5 Cg_endo -81.69 123.51 4.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.449 2.099 . . . . 4.02 112.898 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 45.3 tp -80.53 -48.66 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 3.94 110.311 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.75 -52.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.514 -0.766 . . . . 6.83 110.465 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 57.69 90.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 5.02 111.233 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -76.05 -65.56 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 5.82 110.447 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -144.58 136.15 25.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 3.22 110.436 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.413 HG22 HG23 ' A' ' 37' ' ' THR . 15.3 tt -111.29 135.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 2.02 111.278 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.81 137.4 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 2.91 110.764 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.01 142.86 7.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.364 -0.38 . . . . 1.46 111.248 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 37.9 t -77.9 -20.5 52.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 2.32 110.225 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 91.2 t80 -111.95 147.12 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 3.3 110.559 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.148 -0.929 . . . . 4.59 111.101 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 75.8 p . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.396 0.141 . . . . 3.57 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 18.6 Cg_exo -66.04 124.97 13.35 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.487 2.125 . . . . 2.88 112.37 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.3 p -150.84 172.04 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.26 110.78 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.3 p-10 -91.94 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 2.44 110.601 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.563 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -83.79 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.53 111.099 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -111.16 129.49 55.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 1.51 111.248 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.5 m -56.77 -19.24 15.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 1.95 110.681 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -79.0 -41.11 29.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 3.43 111.41 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.53 -21.35 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 1.73 111.235 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.13 157.78 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.29 111.006 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -126.33 141.87 51.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 3.53 110.777 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -86.87 97.93 10.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 4.17 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 5.6 p-10 -129.24 111.07 18.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 3.04 110.807 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 18.1 Cg_endo -58.97 90.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.504 2.136 . . . . 2.3 112.441 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -74.92 -45.62 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 3.07 110.599 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.69 150.18 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.08 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -107.05 116.32 58.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 4.28 110.907 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.84 125.8 20.18 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.05 1.833 . . . . 2.41 111.453 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.44 -0.345 . . . . 5.24 111.028 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 40.6 t -133.29 140.6 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.67 110.83 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 79' ' ' LEU . 2.9 p -161.88 113.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 2.44 110.94 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 30.7 t -112.04 117.86 33.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 2.58 110.794 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -150.81 22.49 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.238 0.542 . . . . 4.87 110.324 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.47 -39.56 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 4.17 110.37 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.79 -8.65 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 4.62 110.636 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.32 120.45 3.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.282 -0.417 . . . . 1.97 110.8 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 178' ' ' PHE . 48.2 m -148.45 143.38 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.947 0.403 . . . . 1.9 111.369 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -96.84 155.94 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.928 -0.578 . . . . 1.87 110.497 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -111.83 -39.02 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 3.58 111.291 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.3 ptt180 -160.91 165.54 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 4.62 111.08 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 68' ' ' VAL . 6.7 tt -131.72 111.92 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 1.72 110.73 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.09 157.44 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 2.58 111.167 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' CG ' ' H ' ' A' ' 170' ' ' GLY . 12.1 p30 -126.5 157.41 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 1.94 110.778 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -106.5 22.97 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.875 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.44 14.55 65.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.274 -0.965 . . . . 2.64 112.519 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -168.29 -52.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 4.34 110.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.99 147.12 40.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.689 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 59' ' ' ILE . 40.0 p90 -120.47 139.7 52.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.252 -0.431 . . . . 3.39 111.191 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.11 153.09 48.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 2.57 110.818 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' HB ' ' A' ' 59' ' ' ILE . 3.1 m -114.99 116.59 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.95 111.267 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 37.8 tt0 -95.77 149.87 21.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.926 0.393 . . . . 3.84 111.141 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.58 159.69 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 4.12 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 16.0 t70 -83.02 98.08 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 3.04 110.793 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.44 30.64 6.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 3.88 111.144 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.7 m -60.87 -25.91 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.2 111.048 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.4 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.7 tp-100 -141.92 -68.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 4.06 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 31.5 m-20 -150.8 137.41 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 2.84 110.703 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.677 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 12.7 tppt? -158.14 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 3.26 110.805 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -141.2 123.63 15.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.42 111.037 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.07 148.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.72 111.01 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' A' ' 90' ' ' LEU . 76.0 mt -117.75 124.54 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.448 -0.342 . . . . 2.3 110.391 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 97.1 mttt -127.04 164.11 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 2.67 111.211 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.79 165.85 20.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.039 -0.601 . . . . 2.5 112.245 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.67 179.36 47.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.389 -0.91 . . . . 2.63 112.38 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.87 -36.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.622 2.215 . . . . 4.13 112.553 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -55.38 148.91 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.164 -0.471 . . . . 3.0 111.267 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.9 15.84 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 5.04 110.638 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.97 78.48 1.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 1.92 112.582 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 t -58.58 149.6 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 1.68 111.03 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -112.41 116.98 31.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.273 -0.421 . . . . 3.43 110.853 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 123' ' ' TRP . 24.9 ptt180 -102.41 135.28 44.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 3.79 110.899 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' A' ' 79' ' ' LEU . 1.4 mm? -90.82 139.35 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 2.52 110.421 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 2.47 111.553 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 13.9 pt20 -159.35 161.76 35.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.597 -0.274 . . . . 2.41 111.065 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.47 157.46 45.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 1.57 110.968 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -124.18 168.73 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.983 -0.553 . . . . 1.29 110.832 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -110.68 151.76 27.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.343 -0.39 . . . . 3.19 111.259 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -116.94 173.09 6.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.084 -0.507 . . . . 1.68 110.057 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -167.5 150.38 6.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 5.75 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 241' ' ' VAL . . . -117.69 -153.95 9.77 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.903 -0.665 . . . . 3.04 112.397 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -90.36 -26.28 20.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 4.29 110.996 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.98 150.79 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 5.2 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.06 8.01 11.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 5.33 110.728 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 -26.89 11.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 4.18 111.857 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -153.42 155.66 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 4.67 111.101 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.42 70.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 1.95 112.463 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.4 p -167.91 165.86 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 2.04 110.996 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 39.1 mt-10 -83.11 -76.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.64 110.702 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -81.87 162.82 22.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 2.11 110.586 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 32' ' ' ASP . 26.4 p -145.42 88.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 1.88 111.185 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.563 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.7 m -77.75 159.29 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 2.24 111.36 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.61 23.79 6.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 2.18 110.856 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 59.74 10.81 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 3.37 111.371 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -93.24 154.47 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 3.86 111.001 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -106.33 154.77 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 2.57 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -130.41 134.92 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.18 110.528 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.02 -44.43 11.58 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.97 0.414 . . . . 1.72 110.977 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -122.35 162.12 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 1.55 110.214 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -152.8 139.89 19.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.017 0.436 . . . . 2.4 112.096 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.713 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 53.5 mt -86.84 148.03 25.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 2.07 110.349 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.98 95.72 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.314 . . . . 1.71 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 143' ' ' LEU . 63.6 tp -98.49 139.56 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 2.51 110.38 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.56 136.26 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 1.83 111.541 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -131.97 134.11 45.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 2.43 110.531 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 2.7 m0 -130.57 120.72 24.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 3.95 110.355 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -55.42 142.91 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 2.19 111.082 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.0 t -82.09 -14.28 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.77 111.186 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -48.56 -36.28 15.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.979 -0.555 . . . . 3.65 111.841 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.433 ' C ' ' H ' ' A' ' 129' ' ' ASP . 9.9 p90 -100.03 -30.3 12.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.834 -0.346 . . . . 4.38 111.633 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.34 -22.55 0.63 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.82 -0.705 . . . . 2.22 113.336 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 127' ' ' TYR . 6.8 p-10 -141.88 147.92 37.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.994 0.397 . . . . 3.07 111.226 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.13 -21.1 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.853 -0.612 . . . . 3.08 110.866 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -39.84 98.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 2.36 112.278 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.467 ' HA ' HE21 ' A' ' 135' ' ' GLN . 63.5 mttp -89.86 -18.27 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 3.63 111.022 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.42 66.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 1.73 111.066 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.0 -12.45 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 2.3 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.467 HE21 ' HA ' ' A' ' 132' ' ' LYS . 39.9 mt-30 -72.32 2.2 6.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.332 . . . . 3.84 111.019 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -152.91 145.47 17.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 3.22 110.798 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.66 -16.25 42.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.694 2.263 . . . . 2.44 112.213 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.11 21.06 18.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 2.64 111.058 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.16 -80.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 1.49 112.812 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.23 135.87 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 1.76 111.018 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -114.58 165.2 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.619 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.39 130.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 1.3 111.552 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 120' ' ' LEU . 49.5 tp -86.02 143.89 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 2.1 110.682 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.07 109.78 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 1.4 112.309 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 63.1 mt -104.91 141.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 1.53 110.848 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.74 152.08 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 4.48 111.148 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' A' ' 118' ' ' LEU . 81.4 mt -129.47 134.04 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 3.25 110.667 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -114.92 134.54 55.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 4.32 110.957 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.6 148.59 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 3.13 111.047 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 106.58 51.29 0.81 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.745 -0.741 . . . . 3.15 112.735 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.1 m -129.5 131.58 46.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.657 0.265 . . . . 3.85 110.637 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.65 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.372 . . . . 3.82 111.156 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 157' ' ' GLN . 4.7 ttpm? -55.64 118.51 19.87 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 5.19 111.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.01 -21.75 9.18 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.3 2.0 . . . . 3.09 112.347 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.19 56.57 0.01 OUTLIER Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.852 -0.69 . . . . 2.71 112.596 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.28 19.31 14.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.743 0.306 . . . . 3.94 110.861 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 153' ' ' LYS . 10.5 tt0 -59.84 -21.41 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 3.55 110.961 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -56.77 -25.77 56.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 4.82 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.21 -31.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 3.12 110.809 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.96 -30.9 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 3.14 110.904 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 -38.89 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 3.01 110.629 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.9 t -69.2 -24.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.965 -0.562 . . . . 2.46 111.082 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -32.34 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 2.31 111.0 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.92 -12.63 11.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 2.42 110.869 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 49.4 m -85.37 -26.15 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 1.85 111.093 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.19 51.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.227 0.537 . . . . 2.44 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.3 -47.14 65.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 3.75 110.416 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 31.4 p -118.51 136.74 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 2.36 111.145 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -74.46 147.36 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.667 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 61' ' ' ASN . . . 111.74 -18.69 24.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.891 -0.671 . . . . 2.2 112.776 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -97.02 154.45 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 3.33 110.845 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.7 p -98.24 161.63 13.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 2.27 111.215 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.52 118.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 1.89 110.746 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -82.54 143.07 31.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.384 . . . . 3.74 111.507 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.416 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 84.8 t80 -156.52 105.04 2.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 4.47 110.481 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.9 t -118.7 -174.74 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 4.59 111.146 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 65.34 56.85 0.95 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 6.35 110.856 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . 0.549 ' H ' HG23 ' A' ' 55' ' ' THR . 64.3 t80 -99.38 136.01 39.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 4.67 110.659 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.4 92.39 11.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 3.92 111.108 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.44 -13.25 15.12 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.714 2.276 . . . . 4.59 112.646 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 70.5 ttt180 -63.16 -18.75 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 8.64 110.578 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.02 69.06 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.757 -0.735 . . . . 3.43 112.455 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.52 18.98 12.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.599 0.238 . . . . 5.71 111.162 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' A' ' 185' ' ' PRO . 52.5 tp -51.96 116.53 8.35 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.332 -0.395 . . . . 4.53 110.95 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.7 Cg_endo -77.79 165.22 26.97 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.479 2.119 . . . . 3.71 112.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.66 -23.31 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.918 -0.583 . . . . 6.38 110.883 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.7 m 55.09 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 5.07 111.182 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 20.0 tp -144.09 -79.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 4.32 110.489 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 20.0 m-20 -79.0 172.82 13.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 3.78 110.657 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -147.05 179.1 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 3.36 110.756 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.673 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 t-105 -148.14 131.11 16.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 4.16 109.939 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 9.3 t -133.9 165.89 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 1.5 111.875 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -159.4 73.56 3.34 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.971 -0.559 . . . . 2.91 110.602 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.564 ' HA ' HG23 ' A' ' 207' ' ' THR . 57.7 Cg_endo -72.34 129.32 14.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.484 2.122 . . . . 1.48 112.411 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -138.19 -145.56 4.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.786 -0.721 . . . . 1.64 112.497 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.642 0.258 . . . . 2.75 110.65 179.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 205' ' ' CYS . 20.4 tp . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.791 0.329 . . . . 5.02 110.694 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.92 27.09 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 3.98 110.711 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . 0.427 ' HB2' HD23 ' A' ' 203' ' ' LEU . 46.3 t -49.8 -34.95 21.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 2.48 111.001 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.6 123.31 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 1.8 110.693 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 194' ' ' PRO . 23.7 m -113.17 142.33 45.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 1.27 111.458 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -98.92 108.4 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 2.43 110.204 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.3 mp -104.63 151.81 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 1.45 110.817 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.36 125.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 2.12 110.906 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.86 162.23 4.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 3.85 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.514 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 14.8 ptmm? -57.68 -44.79 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.304 . . . . 5.85 110.908 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 10.7 pt-20 -139.65 130.72 14.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 5.91 110.876 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -84.67 157.0 12.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.622 2.214 . . . . 3.58 112.404 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.6 mm -80.38 142.49 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 4.42 110.652 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -98.36 138.7 35.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 3.53 111.595 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 14.2 t -116.43 154.28 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.835 -0.62 . . . . 2.45 110.319 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.578 ' H ' HE21 ' A' ' 221' ' ' GLN . 84.8 p -109.84 149.89 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 3.39 110.915 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.8 t -59.71 -15.57 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 2.82 110.807 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.14 -35.66 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 4.51 110.215 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . 0.578 HE21 ' H ' ' A' ' 218' ' ' SER . 23.5 mt-30 -68.96 -24.58 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.92 110.598 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 226' ' ' ARG . 27.7 m -112.64 10.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 2.44 111.172 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.16 -42.24 80.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 2.8 110.743 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.411 ' HD2' ' HE2' ' A' ' 227' ' ' LYS . 31.2 mmmt -84.29 -14.38 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 3.78 111.054 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . 0.432 ' HA ' HD13 ' A' ' 228' ' ' LEU . 33.0 t80 -74.93 -32.04 61.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 3.33 111.023 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 77.1 mtm180 -62.25 -25.17 67.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 4.82 111.027 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . 0.411 ' HE2' ' HD2' ' A' ' 224' ' ' LYS . 66.7 mttm -70.49 -10.04 58.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 3.25 110.89 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 225' ' ' PHE . 8.0 mp -95.08 162.25 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 2.93 110.995 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.1 170.14 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 2.92 110.524 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -49.86 -47.07 51.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.866 0.365 . . . . 5.3 110.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.558 . . . . 4.3 110.655 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.656 0.265 . . . . 5.11 110.634 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -20.41 56.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 5.21 110.7 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.408 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 11.5 p -83.27 145.57 8.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 3.44 110.737 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.6 t70 179.52 -36.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.451 -0.341 . . . . 3.67 111.097 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -85.17 26.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 3.74 111.29 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -97.36 132.92 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 3.25 110.369 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.547 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 4.1 mmp_? -141.22 155.74 67.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 3.78 111.323 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.56 172.96 14.94 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 2.43 112.007 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -135.15 31.83 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 3.18 111.061 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.96 122.56 72.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 5.35 110.8 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.07 128.85 10.14 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.433 2.089 . . . . 4.02 112.382 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.748 HD23 ' H ' ' A' ' 250' ' ' LEU . 2.0 pt? -76.45 -35.68 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 3.94 110.648 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -160.06 -64.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 6.83 110.503 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -172.31 -66.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 5.02 110.664 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 61.31 146.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.118 -0.492 . . . . 5.82 111.578 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.46 145.88 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 3.22 110.613 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 14.4 tt -116.1 143.81 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 2.02 111.589 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 256' ' ' LYS . 3.5 mptp? -109.6 120.41 42.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.514 . . . . 2.91 110.587 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -138.37 162.98 33.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 1.46 110.86 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 42.5 t -70.47 -23.12 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.32 110.201 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 68.1 t80 -111.83 146.3 37.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.711 -0.677 . . . . 3.3 110.801 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.139 -0.934 . . . . 4.59 111.123 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.548 0.213 . . . . 3.57 110.82 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 128.67 31.31 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.515 2.143 . . . . 2.88 112.251 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -144.24 176.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 2.26 110.796 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 61.3 m-20 -85.55 98.6 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 2.44 110.787 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.9 mp -83.74 139.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 1.53 110.73 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.3 m-20 -113.13 129.09 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 1.51 110.888 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.8 p -72.9 -8.33 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 1.95 110.704 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -88.67 -39.46 14.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.851 -0.613 . . . . 3.43 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.537 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.1 t -76.28 -20.75 57.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.73 111.005 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.04 157.65 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 1.29 110.947 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -119.25 146.02 45.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.451 -0.34 . . . . 3.53 111.028 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 260' ' ' LYS . 38.1 p90 -76.88 132.96 39.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 4.17 110.94 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -130.29 92.45 35.75 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 3.04 111.369 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.69 12.65 2.12 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.506 2.137 . . . . 2.3 112.405 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 m -74.93 -7.57 53.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 3.07 110.959 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 258' ' ' SER . 4.6 mp -105.18 113.04 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.542 . . . . 3.08 110.662 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 37.5 mtmm -78.67 158.5 75.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 4.28 110.874 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 12.1 Cg_endo -55.4 140.36 82.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.494 2.13 . . . . 2.41 112.149 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.6 pt? -99.38 160.45 14.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 5.24 111.404 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -127.85 109.74 11.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.788 -0.642 . . . . 2.67 110.601 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 m -107.85 148.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 2.44 111.589 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -113.23 137.91 50.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.227 -0.442 . . . . 2.58 110.731 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -171.54 37.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 4.87 111.143 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.02 -19.97 46.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 4.17 110.027 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -117.07 1.82 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.675 . . . . 4.62 110.836 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -52.38 124.61 13.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.458 -0.337 . . . . 1.97 110.97 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 178' ' ' PHE . 51.7 m -152.81 144.28 23.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 1.9 111.739 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -92.46 150.02 21.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.835 -0.62 . . . . 1.87 110.346 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.65 -38.39 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 3.58 111.479 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -161.31 157.93 26.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 4.62 111.326 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.8 mt -121.21 119.3 58.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 1.72 110.744 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -108.79 153.97 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 2.58 110.519 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HG3' ' A' ' 169' ' ' LYS . 0.9 OUTLIER -95.06 153.22 17.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 1.94 111.156 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -106.69 23.18 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 3.13 111.314 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.93 11.11 84.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.472 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -179.54 -49.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 4.34 110.926 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.71 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 2.12 110.876 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' HE1' HD13 ' A' ' 228' ' ' LEU . 24.8 m-85 -120.2 133.74 55.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 3.39 110.737 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -133.32 146.84 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.689 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.91 133.04 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 1.95 111.013 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 40.3 tt0 -105.11 142.0 35.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.964 0.411 . . . . 3.84 111.327 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -117.57 147.47 42.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.796 -0.638 . . . . 4.12 110.629 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.98 101.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 3.04 110.514 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.16 0.27 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 3.88 111.126 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.425 ' HB3' HE22 ' A' ' 74' ' ' GLN . 48.1 t -58.05 -29.15 65.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 3.2 110.695 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.425 HE22 ' HB3' ' A' ' 73' ' ' SER . 1.9 mp0 -129.08 177.12 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.06 110.566 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.96 78.12 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 2.84 110.589 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 54' ' ' ALA . 41.3 tttt -88.23 -61.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 3.26 111.032 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -149.07 118.39 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.242 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -127.07 161.57 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.72 111.233 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 90' ' ' LEU . 1.4 mm? -119.4 120.92 38.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 2.3 110.874 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -145.54 164.57 31.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 2.67 110.936 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.68 -167.54 13.46 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.866 -0.683 . . . . 2.5 112.478 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.75 -159.84 36.76 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.775 -0.726 . . . . 2.63 112.64 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -42.06 2.05 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.534 2.156 . . . . 4.13 112.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 84' ' ' LEU . 2.6 pt? -80.73 156.42 26.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 3.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.63 10.74 39.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 5.04 111.148 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.07 126.22 7.98 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.762 -0.732 . . . . 1.92 112.527 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 t -94.02 133.53 37.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 1.68 111.253 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 83.2 m-85 -113.17 140.21 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 3.43 110.686 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -101.53 140.25 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 3.79 110.797 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 79' ' ' LEU . 4.0 pp -82.94 142.11 31.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.464 -0.335 . . . . 2.52 110.675 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.719 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.4 mp -116.38 -73.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.486 -0.325 . . . . 2.47 111.36 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.719 ' HG3' HG22 ' A' ' 91' ' ' ILE . 44.9 mt-30 -150.69 157.57 43.12 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.647 0.26 . . . . 2.41 111.013 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 27.8 p90 -138.76 148.84 44.35 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.993 0.425 . . . . 1.57 110.894 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.3 p-80 -128.08 168.19 15.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.29 110.761 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -111.29 158.25 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 3.19 111.185 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -116.7 168.96 9.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 1.68 110.735 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.485 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 62.3 t-105 -172.14 92.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 5.75 110.24 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.9 161.74 0.93 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.994 -0.622 . . . . 3.04 112.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.513 ' HB3' ' H ' ' A' ' 242' ' ' ASP . 89.1 p -72.64 -18.25 61.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 4.29 110.933 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.94 146.21 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.615 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.97 26.87 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 5.33 110.708 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.93 -44.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 4.18 112.601 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -158.81 169.8 23.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.885 0.374 . . . . 4.67 111.108 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.07 89.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.918 -0.658 . . . . 1.95 112.535 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -158.08 172.84 17.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.674 0.273 . . . . 2.04 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 245' ' ' ARG . 43.5 mt-10 -75.96 -86.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.49 -0.323 . . . . 2.64 111.391 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -70.85 169.55 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 2.11 111.213 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 43.5 m -143.78 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 1.88 110.892 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.03 153.61 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 2.24 111.305 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.8 t70 55.63 27.85 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.793 -0.64 . . . . 2.18 110.843 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm 57.83 16.22 3.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 3.37 111.369 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -118.64 127.13 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 3.86 110.541 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -94.38 155.65 16.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 2.57 110.819 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.86 153.0 23.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 2.18 110.869 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.78 23.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.355 -0.384 . . . . 1.72 111.417 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.88 152.87 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.55 110.561 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 10.6 pt-20 -152.55 137.37 17.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 2.4 111.841 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.1 mt -86.76 147.85 25.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 2.07 110.354 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -127.58 97.04 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 1.71 111.491 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 70.1 tp -93.46 123.82 37.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.404 . . . . 2.51 110.597 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.23 146.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.815 0.341 . . . . 1.83 111.389 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 69.4 m-70 -129.71 163.19 26.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 2.43 110.861 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -171.44 120.58 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 3.95 110.771 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -57.1 123.25 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 2.19 111.033 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -84.9 -15.18 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.77 111.555 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -56.38 -27.26 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 3.65 110.91 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -78.13 -28.73 48.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 4.38 110.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.11 -46.76 3.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 2.22 112.737 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.09 157.54 46.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 3.07 110.904 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 48.7 p90 -63.88 -19.61 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 3.08 111.135 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.24 -49.11 78.96 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.655 -0.784 . . . . 2.36 112.622 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -21.3 23.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 3.63 110.78 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -67.24 -41.19 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.73 111.223 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 130' ' ' PHE . 24.3 m -65.16 -9.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 2.3 111.588 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 3.84 110.747 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.632 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 29.6 tt0 -79.12 135.64 58.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 3.22 110.39 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 53.1 Cg_exo -54.8 -18.06 15.21 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.625 2.217 . . . . 2.44 112.801 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.632 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 32.3 t70 -117.61 -12.76 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.574 -0.285 . . . . 2.64 111.314 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.33 -102.69 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.944 -0.646 . . . . 1.49 112.737 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -102.58 166.99 10.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.65 0.262 . . . . 1.76 110.578 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -116.24 149.75 38.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.98 111.121 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 206' ' ' VAL . 46.6 t -122.34 111.6 31.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 1.3 111.356 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 212' ' ' LYS . 52.5 tp -88.94 108.8 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 2.1 110.686 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -88.53 110.38 3.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 1.4 112.598 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 68.1 mt -100.16 139.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.983 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -117.37 135.05 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 4.48 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 90.8 mt -101.94 140.32 36.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 3.25 111.14 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -118.92 134.99 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 4.32 110.731 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.88 147.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 3.13 110.85 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.35 141.65 12.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.813 -0.708 . . . . 3.15 112.345 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.3 t 61.25 72.44 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 3.85 110.405 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . -62.72 -169.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 3.82 111.712 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.579 ' HD3' ' HB2' ' A' ' 156' ' ' LEU . 16.7 ptpt -59.3 153.61 46.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.762 -0.654 . . . . 5.19 111.277 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.76 -12.22 35.07 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.682 2.255 . . . . 3.09 112.159 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 137.48 62.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 2.71 112.693 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.579 ' HB2' ' HD3' ' A' ' 153' ' ' LYS . 64.5 mt -121.25 27.53 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 3.94 110.626 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.64 -21.54 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.878 -0.601 . . . . 3.55 111.566 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -56.74 -32.27 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 4.82 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 41.4 t -73.06 -29.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 3.12 111.05 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 225' ' ' PHE . 58.6 t -64.67 -20.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 3.14 111.072 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.95 -19.94 31.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 3.01 110.984 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.27 -57.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 2.46 111.414 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 2.31 110.955 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.482 ' HA ' ' HD3' ' A' ' 167' ' ' LYS . 17.4 t70 -49.6 -19.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.807 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.4 t -88.24 -43.56 11.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.85 110.735 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.0 pt -93.81 50.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 2.44 111.361 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 164' ' ' ASP . 32.6 mmmt -59.54 -48.85 80.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 3.75 110.993 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 75.3 p -70.37 143.79 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 2.36 111.002 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.63 148.18 30.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 3.46 110.98 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.79 -26.5 10.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.014 -0.612 . . . . 2.2 112.365 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -104.46 176.48 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 3.33 110.808 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.5 p -149.51 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.943 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -125.65 135.03 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.568 . . . . 1.89 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.85 117.51 29.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.457 -0.338 . . . . 3.74 111.018 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.17 111.9 10.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 4.47 110.649 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.6 t -109.22 177.74 4.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 4.59 110.939 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 60.11 57.2 3.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 6.35 110.959 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . 0.608 ' H ' HG23 ' A' ' 55' ' ' THR . 53.6 t80 -88.6 136.16 33.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.572 . . . . 4.67 110.556 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . 0.602 ' HB3' ' HG2' ' A' ' 181' ' ' ARG . 12.3 m-20 -68.59 111.13 7.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.351 -0.386 . . . . 3.92 111.032 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.7 -10.29 28.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.575 2.183 . . . . 4.59 112.262 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . 0.602 ' HG2' ' HB3' ' A' ' 179' ' ' ASP . 15.6 ptp180 -70.31 -28.31 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 8.64 110.632 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -68.02 -9.44 56.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 3.43 112.277 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.24 -13.89 19.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 5.71 110.745 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 181' ' ' ARG . 90.4 mt -56.1 125.98 65.68 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 4.53 110.906 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.97 140.01 19.87 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.469 2.113 . . . . 3.71 112.458 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.74 -22.17 56.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 6.38 110.804 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 79.9 p -157.06 150.53 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 5.07 110.834 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.03 126.35 52.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.299 -0.409 . . . . 4.32 110.689 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.598 ' HB3' HD23 ' A' ' 211' ' ' LEU . 8.4 m-20 -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 3.78 110.871 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 258' ' ' SER . 63.1 m-85 -142.58 143.14 32.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.375 . . . . 3.36 110.619 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.63 ' HB2' HD22 ' A' ' 211' ' ' LEU . 10.0 t-105 -172.25 120.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 4.16 110.598 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 5.7 t -119.35 147.92 43.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 1.5 110.802 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -167.45 86.72 0.77 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.14 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 207' ' ' THR . 52.8 Cg_endo -69.6 128.35 16.04 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.32 2.014 . . . . 1.48 112.004 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.73 -160.98 10.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.496 -0.859 . . . . 1.64 112.858 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 2.75 110.516 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' H ' ' A' ' 204' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.326 . . . . 5.02 110.779 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . 0.607 ' H ' HD13 ' A' ' 203' ' ' LEU . 34.0 tt0 -77.91 84.71 4.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 3.98 110.773 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.62 24.14 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.53 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 142' ' ' VAL . 8.2 t -116.43 113.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.8 111.194 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 194' ' ' PRO . 32.7 m -113.19 149.08 34.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.27 111.036 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -106.18 114.77 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 2.43 111.063 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.5 HG21 ' HE2' ' A' ' 212' ' ' LYS . 3.5 mp -126.3 136.7 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 1.45 110.384 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 211' ' ' LEU . 2.4 t -136.32 168.44 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 2.12 111.36 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 191' ' ' TRP . 11.0 mp 67.68 9.52 7.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.911 -0.586 . . . . 3.85 111.346 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 143' ' ' LEU . 24.0 ttmm -82.5 -43.5 17.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 5.85 110.532 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 77.38 4.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 5.91 110.37 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 159.5 27.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.888 2.392 . . . . 3.58 112.426 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 48.7 mm -124.9 137.62 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 4.42 110.868 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 25.4 t -100.93 114.4 28.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 3.53 111.296 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.49 141.22 18.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.164 -0.471 . . . . 2.45 110.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 152' ' ' ALA . 40.7 t -106.06 148.24 28.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.865 0.364 . . . . 3.39 110.992 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 222' ' ' VAL . 90.7 p -80.22 -18.4 49.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 2.82 111.243 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.69 -25.83 37.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 4.51 110.669 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -88.04 -24.8 23.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 3.92 111.297 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 30.1 m -102.14 24.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.381 . . . . 2.44 111.195 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.43 -37.17 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 2.8 110.722 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.91 -14.81 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 3.78 110.771 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . 0.595 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 87.5 t80 -80.05 -35.47 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 3.33 111.02 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 222' ' ' VAL . 36.0 mmt180 -73.92 -0.07 14.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 4.82 111.347 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 227' ' ' LYS . 9.6 mtpm? -72.76 -7.96 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.434 -0.348 . . . . 3.25 111.384 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 240' ' ' MET . 3.7 pp -54.12 162.23 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 2.93 111.363 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.13 166.87 21.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.039 -0.528 . . . . 2.92 111.402 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.429 ' H ' ' HD1' ' A' ' 230' ' ' PHE . 4.7 p90 -100.41 -0.95 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.964 -0.562 . . . . 5.3 110.953 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 CA--C 1.53 0.196 0 CA-C-N 116.295 -0.411 . . . . 4.3 110.681 -179.304 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.707 0.289 . . . . 5.11 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 240' ' ' MET . 0.0 OUTLIER -53.87 130.95 38.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 5.21 110.768 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 22.8 m -144.38 -175.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 3.44 111.46 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 99' ' ' SER . 46.3 m-20 68.44 41.7 1.73 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 3.67 110.97 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.485 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 30.9 m-20 -118.44 29.71 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.58 . . . . 3.74 110.702 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . 0.433 ' HD1' ' H ' ' A' ' 99' ' ' SER . 64.8 p-90 -103.5 159.79 15.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 3.25 110.895 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 18.5 tpt180 -141.03 141.63 24.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 3.78 110.92 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.426 ' HD2' ' HG3' ' A' ' 245' ' ' ARG . 46.6 Cg_exo -56.69 172.4 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.263 1.975 . . . . 2.43 112.116 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.07 45.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 3.18 111.13 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -55.19 135.41 68.53 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 5.35 110.838 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.99 124.52 9.67 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.418 2.079 . . . . 4.02 112.558 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 64.9 tp -79.94 -31.89 40.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 3.94 110.856 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 66.07 13.44 9.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.695 -0.684 . . . . 6.83 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -147.7 171.45 15.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.327 -0.397 . . . . 5.02 111.214 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 66.78 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.789 -0.641 . . . . 5.82 111.491 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -106.36 166.05 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 3.22 110.619 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.8 mp -106.94 144.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.34 -0.391 . . . . 2.02 110.645 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -116.18 91.73 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 2.91 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.94 169.78 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 1.46 111.072 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.523 ' HB2' HD22 ' A' ' 44' ' ' LEU . 41.9 t -77.2 -15.43 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 2.32 110.483 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -111.69 147.67 35.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.629 . . . . 3.3 110.599 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 40' ' ' TYR . 68.6 mttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.252 -0.88 . . . . 4.59 111.255 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.552 0.215 . . . . 3.57 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.84 125.28 5.98 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.651 2.234 . . . . 2.88 112.228 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.7 p -137.04 176.5 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.254 -0.43 . . . . 2.26 110.604 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.635 ' H ' HG22 ' A' ' 31' ' ' VAL . 35.4 m-20 -89.52 98.61 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 2.44 110.662 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -82.7 140.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.53 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.5 m-20 -108.73 129.42 55.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 1.51 110.662 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -67.3 -10.06 47.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.95 110.634 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -90.43 -40.85 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.65 . . . . 3.43 110.969 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.9 t -74.06 -21.79 59.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 1.73 110.969 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.08 129.82 43.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 1.29 110.897 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.21 151.54 23.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 3.53 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 260' ' ' LYS . 38.4 p90 -90.49 131.79 36.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 4.17 110.785 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.03 100.32 19.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 3.04 111.113 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.79 21.88 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.45 2.1 . . . . 2.3 112.749 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -68.49 -45.51 72.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.458 -0.337 . . . . 3.07 110.732 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.9 mm? -110.17 96.4 6.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 3.08 110.617 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -108.48 149.72 39.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 4.28 111.212 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.88 126.49 18.99 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.332 2.022 . . . . 2.41 111.665 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.9 tp -139.79 -62.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 5.24 111.576 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -129.9 120.31 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 2.67 111.37 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.72 135.82 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 2.44 110.778 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.513 ' HB2' HG12 ' A' ' 78' ' ' VAL . 51.1 m -113.41 144.11 43.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 2.58 110.952 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -175.04 34.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.991 -0.549 . . . . 4.87 110.919 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -89.76 -25.41 21.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 4.17 110.21 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -101.08 -3.91 28.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 4.62 110.679 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -50.53 120.22 4.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.345 -0.389 . . . . 1.97 110.741 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.0 m -159.85 144.05 14.67 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.345 . . . . 1.9 111.538 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -87.14 163.6 16.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 1.87 110.412 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -123.23 -39.33 2.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.608 -0.269 . . . . 3.58 111.681 -179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 60' ' ' LEU . 40.9 ttp180 -173.37 152.2 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.871 0.367 . . . . 4.62 111.385 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.442 HG12 HG12 ' A' ' 68' ' ' VAL . 35.9 mt -112.72 104.43 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 1.72 110.631 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 58' ' ' ARG . 2.9 mm? -99.87 153.31 19.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 2.58 111.153 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.99 161.44 20.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 1.94 110.522 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -106.55 23.68 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.683 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 14.34 73.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.31 -0.948 . . . . 2.64 112.002 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.07 -55.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.711 0.291 . . . . 4.34 110.776 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.89 163.48 16.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.245 -0.434 . . . . 2.12 110.804 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -120.34 133.47 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 3.39 111.193 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -133.67 153.26 51.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.103 -0.499 . . . . 2.57 110.652 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 59' ' ' ILE . 3.6 m -115.58 108.65 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.95 111.442 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HB3' HE21 ' A' ' 92' ' ' GLN . 10.1 pt-20 -98.94 145.31 27.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 3.84 111.166 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.36 172.15 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 4.12 110.882 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.03 107.77 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 3.04 111.056 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -107.3 3.43 25.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 3.88 110.648 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 -44.28 83.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.039 -0.528 . . . . 3.2 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -127.42 -166.16 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 4.06 110.88 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -58.49 138.92 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 2.84 110.867 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 7.1 ttpm? -142.58 -76.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 3.26 111.13 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -156.54 122.39 4.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 1.42 111.332 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 50' ' ' SER . 11.5 p -117.42 152.05 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 1.72 110.855 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -133.89 132.61 40.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 2.3 111.361 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HB3' HG22 ' A' ' 87' ' ' THR . 14.8 ptmm? -159.38 150.6 19.94 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.312 -0.404 . . . . 2.67 110.559 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.63 156.35 26.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.582 -0.818 . . . . 2.5 112.754 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.9 -158.28 6.53 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.748 -0.739 . . . . 2.63 112.628 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.12 2.1 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.481 2.12 . . . . 4.13 112.16 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 112.82 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 3.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.42 -15.37 37.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 5.04 110.778 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.91 83.67 1.52 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.902 -0.666 . . . . 1.92 112.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 80' ' ' LYS . 40.1 p -68.25 156.07 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.68 111.404 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.98 128.62 46.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 3.43 110.722 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -103.32 153.88 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 3.79 111.157 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.8 mp -90.0 122.72 33.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.289 -0.414 . . . . 2.52 110.342 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -98.86 -70.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.549 -0.296 . . . . 2.47 111.411 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 69' ' ' GLU . 3.9 pt20 -159.17 169.67 23.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.599 -0.273 . . . . 2.41 111.012 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 37.7 p90 -158.14 162.3 37.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 1.57 111.268 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.544 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.9 p-80 -135.86 163.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 1.29 110.48 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -111.41 145.6 38.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.866 0.365 . . . . 3.19 111.574 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -104.07 160.73 14.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.051 -0.522 . . . . 1.68 110.204 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.427 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 97.2 m95 -144.15 89.9 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 5.75 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -52.47 164.08 1.7 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.026 -0.607 . . . . 3.04 112.677 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 44.0 t -82.83 -28.73 29.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 4.29 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.1 137.97 31.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 5.2 110.919 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.45 20.54 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 5.33 110.668 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.01 -40.4 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.824 -0.703 . . . . 4.18 112.369 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -166.43 172.05 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 4.67 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 1.95 112.451 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.6 p -152.18 147.81 26.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 2.04 110.989 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.4 124.88 24.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 2.64 110.732 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 60.92 173.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 2.11 110.885 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.1 t -164.68 120.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 1.88 111.315 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 34.5 m -102.92 159.3 4.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.411 . . . . 2.24 111.68 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 t70 56.15 30.72 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.664 . . . . 2.18 111.016 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 55.61 24.85 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 3.37 111.401 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -126.19 116.93 22.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 3.86 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -102.99 152.35 21.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 2.57 110.962 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.14 164.79 11.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.18 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.0 -14.26 58.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.089 -0.505 . . . . 1.72 111.536 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.408 ' HB3' HD21 ' A' ' 147' ' ' LEU . . . -163.81 169.47 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 1.55 111.309 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 145' ' ' ILE . 39.4 tt0 -152.69 147.8 26.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 2.4 110.79 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 148.12 23.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 2.07 110.93 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.544 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.8 m170 -107.2 108.92 20.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 1.71 111.285 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 3.0 mp -102.4 143.64 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.734 0.302 . . . . 2.51 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.0 140.71 34.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 1.83 111.496 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 15.2 m-70 -127.31 156.83 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 2.43 110.261 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.51 ' HE1' ' HB2' ' A' ' 133' ' ' ALA . 27.8 t90 -165.03 134.76 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.084 0.469 . . . . 3.95 111.153 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.401 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 60.4 t30 -78.68 128.18 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 2.19 110.76 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.1 t -73.44 -15.02 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.77 111.804 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 54.1 tptt -54.91 -25.44 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 3.65 111.201 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' A' ' 129' ' ' ASP . 95.2 m-85 -85.95 -30.03 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 4.38 111.194 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.13 -24.6 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 2.22 112.75 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.2 m-20 -142.33 163.58 32.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.882 0.372 . . . . 3.07 111.221 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -23.23 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 3.08 110.998 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.05 -27.61 72.78 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.602 -0.809 . . . . 2.36 112.367 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -90.06 -32.7 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 3.63 110.738 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HE1' ' A' ' 123' ' ' TRP . . . -62.74 -42.57 99.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.73 111.148 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.71 -13.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.923 -0.58 . . . . 2.3 111.629 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.579 ' HA ' HE21 ' A' ' 135' ' ' GLN . 0.1 OUTLIER -72.26 -10.37 59.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 3.84 110.734 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.645 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 33.3 tt0 -135.3 130.97 19.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 3.22 110.669 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 37.4 Cg_exo -61.2 -24.09 78.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.603 2.202 . . . . 2.44 112.189 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.645 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 6.2 m-20 -100.34 10.77 40.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 2.64 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.77 -55.33 31.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 1.49 112.858 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -126.96 155.76 42.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 1.76 110.634 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.2 165.26 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 0.98 111.281 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 209' ' ' ILE . 60.0 t -125.16 108.26 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 1.3 110.753 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.545 HD23 HD22 ' A' ' 120' ' ' LEU . 61.6 tp -85.47 141.61 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 2.1 111.322 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.87 128.57 5.71 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.815 -0.629 . . . . 1.4 112.25 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 51.3 mt -130.55 140.67 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.3 . . . . 1.53 111.044 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.74 175.98 7.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 4.48 110.753 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 116' ' ' ALA . 96.0 mt -56.69 176.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 3.25 111.104 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -128.07 143.39 51.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 4.32 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.03 122.56 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 3.13 110.782 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 218' ' ' SER . . . -53.97 107.22 0.6 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.041 -0.6 . . . . 3.15 113.008 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.1 p -172.22 42.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.767 0.318 . . . . 3.85 111.21 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 217' ' ' VAL . . . -84.86 -164.87 1.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.409 -0.36 . . . . 3.82 111.073 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.69 155.97 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 5.19 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -78.24 -2.63 12.69 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.45 2.1 . . . . 3.09 111.867 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -122.73 29.05 5.52 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.878 -0.677 . . . . 2.71 112.615 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 221' ' ' GLN . 19.1 tp -72.67 6.96 2.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 3.94 110.946 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -53.69 -22.72 9.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 3.55 110.959 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 162' ' ' VAL . 45.5 mtmt -54.24 -36.33 63.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.515 . . . . 4.82 111.022 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 36.6 t -84.5 -28.56 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 3.12 111.333 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.38 -28.63 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.049 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -85.07 -27.86 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 3.01 110.876 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 158' ' ' LYS . 96.1 t -60.5 -43.83 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.221 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -30.43 71.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 2.31 111.09 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.53 -12.48 22.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 2.42 110.642 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.9 t -86.4 -30.89 21.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 1.85 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.9 mp -108.67 51.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 2.44 110.735 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -50.95 -41.96 59.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 3.75 110.625 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.7 p -128.15 148.88 50.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 2.36 111.081 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.7 OUTLIER -65.73 148.14 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 3.46 111.14 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.6 -20.89 19.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.961 -0.637 . . . . 2.2 112.435 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -93.71 175.73 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 3.33 110.807 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 79.7 p -126.59 163.07 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 2.27 111.031 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -163.0 124.55 2.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 1.89 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.508 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 7.9 m-20 -69.07 143.03 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 3.74 111.089 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.41 ' HB3' HG13 ' A' ' 59' ' ' ILE . 70.2 t80 -156.05 108.42 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 4.47 110.645 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 12.9 t -130.66 -177.37 4.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 4.59 110.95 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.03 50.32 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 6.35 111.09 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -112.58 142.15 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 4.67 110.688 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -143.15 91.75 6.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 3.92 111.292 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.76 -48.45 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.279 1.986 . . . . 4.59 112.31 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.02 -7.32 49.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 8.64 111.093 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.55 29.93 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.786 -0.721 . . . . 3.43 112.577 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.59 -20.27 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.658 0.266 . . . . 5.71 111.004 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 90.8 mt -73.8 137.36 76.76 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.47 -0.332 . . . . 4.53 110.809 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 25.3 Cg_exo -62.58 132.78 39.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.46 2.107 . . . . 3.71 112.406 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.98 -20.32 42.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.465 . . . . 6.38 111.135 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.0 m -107.09 89.83 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 5.07 111.026 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.453 HD22 ' HZ2' ' A' ' 212' ' ' LYS . 11.3 mt -154.07 169.37 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 4.32 111.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.606 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 12.3 m-20 -76.11 167.34 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 3.78 110.594 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -142.1 175.61 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 3.36 110.886 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.555 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.2 m-90 -140.71 140.57 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 4.16 110.07 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.5 t -138.26 163.82 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.5 111.559 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -159.88 87.13 1.99 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 2.91 110.635 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.517 ' HA ' HG23 ' A' ' 207' ' ' THR . 53.5 Cg_exo -53.67 129.55 34.49 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.485 2.123 . . . . 1.48 112.422 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 162.84 -157.0 28.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.861 -0.685 . . . . 1.64 112.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 2.75 110.84 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.703 0.287 . . . . 5.02 110.73 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.21 17.67 6.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.373 0.606 . . . . 3.98 109.837 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 79.3 m -93.08 19.45 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.378 -0.828 . . . . 2.48 110.74 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.39 115.31 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 1.8 111.512 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 194' ' ' PRO . 35.3 m -112.97 140.81 47.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 1.27 110.268 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -91.23 108.69 20.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.84 0.352 . . . . 2.43 110.979 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 142' ' ' VAL . 0.3 OUTLIER -101.62 160.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 1.45 110.539 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 43.8 t -133.41 103.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.12 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.13 162.09 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 3.85 110.594 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.453 ' HZ2' HD22 ' A' ' 188' ' ' LEU . 22.6 tptm -62.41 -55.15 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 5.85 110.995 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.16 149.99 26.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 5.91 110.87 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.73 170.17 20.94 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.632 2.221 . . . . 3.58 112.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 215' ' ' ILE . 4.5 mp -73.52 134.85 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.247 -0.433 . . . . 4.42 110.665 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 78.7 p -68.29 104.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 3.53 111.421 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.515 ' HA ' ' HB2' ' A' ' 152' ' ' ALA . 57.9 t -133.24 136.69 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 2.45 110.59 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.491 ' HB2' ' HG2' ' A' ' 221' ' ' GLN . 74.0 m -73.06 147.84 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 3.39 110.926 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.3 p -80.98 -22.49 39.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 2.82 111.583 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.94 -26.66 57.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 4.51 111.029 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 156' ' ' LEU . 24.5 mm-40 -75.93 -26.47 56.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 3.92 110.834 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 27.1 m -96.59 -3.29 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 2.44 111.224 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 223' ' ' LEU . 0.4 OUTLIER -56.23 -40.59 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 2.8 110.09 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -76.03 -23.48 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 3.78 110.376 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -69.05 -23.27 64.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 3.33 110.8 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -77.02 -10.87 59.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 4.82 111.162 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -74.53 -5.66 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 3.25 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.39 162.44 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 2.93 110.989 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -110.89 147.0 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 2.92 110.787 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -52.05 -40.61 61.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 5.3 110.292 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 4.3 110.854 179.26 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.579 0.228 . . . . 5.11 110.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 52.7 ttp -67.96 80.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 5.21 110.714 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 29.8 m -141.73 -171.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.901 -0.59 . . . . 3.44 111.185 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 99' ' ' SER . 13.5 t70 73.29 48.19 0.17 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.031 -0.532 . . . . 3.67 110.957 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.595 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 37.6 m-80 -129.81 37.13 3.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.74 110.923 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -105.47 155.46 19.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 3.25 110.84 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 35.7 mmt180 -139.27 131.55 15.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 3.78 111.368 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 15.5 Cg_exo -68.33 173.09 10.15 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.557 2.171 . . . . 2.43 111.877 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.76 41.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.376 . . . . 3.18 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.21 145.2 57.64 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.465 . . . . 5.35 110.87 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -83.24 123.62 3.53 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.448 2.098 . . . . 4.02 112.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.03 -49.1 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 3.94 110.846 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -173.13 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 6.83 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -151.5 170.32 19.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 5.02 110.844 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -169.85 138.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 5.82 111.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -104.03 119.5 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 3.22 110.54 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 255' ' ' ILE . 4.1 mp -109.11 123.84 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.395 -0.366 . . . . 2.02 111.189 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -97.97 100.8 12.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 2.91 110.737 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -113.29 168.62 9.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.425 . . . . 1.46 111.311 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 30.1 t -69.48 -37.16 77.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 2.32 110.432 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 87.5 t80 -112.01 144.45 41.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 3.3 110.902 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' TYR . 15.3 ptpt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.143 -0.932 . . . . 4.59 111.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.481 0.182 . . . . 3.57 110.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HB2' ' O ' ' A' ' 246' ' ' PRO . 43.1 Cg_exo -56.51 129.31 34.02 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.461 2.107 . . . . 2.88 112.154 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 32' ' ' ASP . 20.2 t -120.44 165.65 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.157 -0.474 . . . . 2.26 110.631 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' HG12 ' A' ' 31' ' ' VAL . 18.8 t70 -86.6 98.64 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 2.44 110.856 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.602 ' HB ' HG12 ' A' ' 109' ' ' VAL . 2.5 mp -83.17 142.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.53 110.88 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB2' HG22 ' A' ' 37' ' ' THR . 11.8 m-20 -113.11 129.45 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 1.51 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -69.47 -8.91 51.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 1.95 111.236 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -89.96 -40.86 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 3.43 110.997 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -74.12 -17.08 60.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.303 -0.408 . . . . 1.73 110.978 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 157.53 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.886 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -133.12 147.93 52.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.864 0.364 . . . . 3.53 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 84.2 t80 -74.54 98.87 3.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.536 . . . . 4.17 110.644 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 102.76 49.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 3.04 111.023 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.84 20.69 0.86 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.383 2.055 . . . . 2.3 112.394 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 44' ' ' LEU . 92.2 p -59.48 -45.88 90.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.398 -0.365 . . . . 3.07 110.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' C ' ' A' ' 43' ' ' SER . 4.6 mm? -119.18 99.11 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 3.08 110.541 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.15 147.51 35.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 4.28 110.47 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.16 125.65 19.6 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.182 1.922 . . . . 2.41 111.563 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.0 tp -117.25 -57.68 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.501 -0.318 . . . . 5.24 110.982 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.9 p -135.31 142.03 45.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.432 -0.349 . . . . 2.67 111.221 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -151.87 114.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.037 -0.529 . . . . 2.44 111.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -109.26 146.57 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 2.58 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -176.3 34.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 4.87 110.781 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -91.97 -21.92 20.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 4.17 110.861 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -108.59 -0.52 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 4.62 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.83 120.71 6.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 1.97 110.966 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -146.25 143.37 29.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.962 0.41 . . . . 1.9 111.717 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.1 p -99.75 165.05 11.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.956 -0.565 . . . . 1.87 110.572 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 71' ' ' ASP . 4.2 mm? -111.29 -39.42 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 3.58 111.649 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -178.06 167.81 2.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 4.62 111.43 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 tt -124.83 123.61 66.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.624 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -113.22 150.56 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 2.58 111.178 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.558 ' ND2' HG21 ' A' ' 166' ' ' ILE . 19.8 m-80 -116.92 148.84 41.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.015 -0.538 . . . . 1.94 110.495 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -106.84 23.27 14.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.501 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.95 14.4 62.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.313 -0.946 . . . . 2.64 112.45 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 56.1 t60 -176.05 -61.78 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.747 0.308 . . . . 4.34 110.893 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.6 149.48 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 2.12 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -123.68 135.14 53.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 3.39 111.142 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -130.24 148.43 52.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 2.57 110.717 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -96.48 145.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.95 110.785 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.626 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 43.1 tt0 -120.34 117.42 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 3.84 111.064 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.89 171.21 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 4.12 110.571 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' HD21 ' A' ' 57' ' ' LEU . 22.6 t70 -72.88 122.2 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 3.04 110.636 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.94 -11.78 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 3.88 110.711 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.5 t -64.26 -24.15 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 3.2 111.058 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -152.6 154.09 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 4.06 110.769 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.95 121.98 31.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.252 -0.431 . . . . 2.84 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 4.1 mptp? -94.79 -76.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 3.26 111.087 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.74 135.27 36.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 1.42 111.213 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.14 156.0 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 1.72 110.748 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.93 155.73 46.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 2.3 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -159.37 140.46 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.819 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.44 176.96 50.14 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.803 -0.713 . . . . 2.5 112.385 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.12 -77.39 0.18 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.543 -0.837 . . . . 2.63 112.417 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.28 -7.31 17.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.458 2.106 . . . . 4.13 112.11 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . 28.7 tp -83.45 115.59 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 3.0 110.754 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -102.16 49.78 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.057 0.456 . . . . 5.04 110.731 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.7 85.71 0.23 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.906 -0.664 . . . . 1.92 112.422 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -55.68 152.66 9.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.653 0.263 . . . . 1.68 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 81.8 m-85 -125.12 131.38 53.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 3.43 111.33 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -103.77 129.84 51.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 3.79 110.792 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 pt? -84.15 142.32 30.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.649 0.261 . . . . 2.52 110.361 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.651 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.1 mp -111.84 -71.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 111.896 0.332 . . . . 2.47 111.896 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 91' ' ' ILE . 52.2 mt-30 -149.16 166.7 28.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.573 0.225 . . . . 2.41 111.054 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -158.3 154.74 27.62 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.237 0.541 . . . . 1.57 111.81 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 4.5 p-80 -129.78 169.87 14.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.36 -0.836 . . . . 1.29 110.098 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -109.91 138.06 46.82 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.032 0.444 . . . . 3.19 112.063 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -95.2 164.05 13.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.798 -0.637 . . . . 1.68 109.631 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -142.8 145.17 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 5.75 111.248 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -118.4 161.88 13.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.23 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 t -68.9 -30.83 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 4.29 110.817 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.77 141.41 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 5.2 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.49 5.33 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 5.33 111.089 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.68 -15.65 4.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.471 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 113' ' ' LYS . 21.8 pt20 -164.58 164.9 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 4.67 111.112 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.33 85.2 0.55 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.899 -0.667 . . . . 1.95 112.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 35.0 t -155.18 -79.55 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.67 0.271 . . . . 2.04 111.053 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.666 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 47.6 mt-10 -148.26 -99.9 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.425 -0.352 . . . . 2.64 111.85 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.97 176.33 2.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.94 0.4 . . . . 2.11 111.579 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 113' ' ' LYS . 95.9 m -141.79 86.06 1.97 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.941 -0.572 . . . . 1.88 110.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' HB ' ' A' ' 33' ' ' ILE . 19.8 m -89.32 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 2.24 111.165 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.87 35.39 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 2.18 110.592 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.9 mttp 58.82 14.64 3.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.015 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -124.3 116.46 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 3.86 110.623 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.534 ' N ' HG23 ' A' ' 108' ' ' THR . 40.1 ttmt -71.67 144.65 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 2.57 111.303 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 105' ' ' SER . 69.6 m-85 -70.0 137.7 51.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 2.18 109.987 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.96 -25.2 37.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 1.72 111.287 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.5 145.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 1.55 110.603 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -143.96 155.22 43.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 2.4 111.085 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 5.4 mt -99.61 140.52 33.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 2.07 110.943 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.99 94.97 8.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 1.71 109.891 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 90' ' ' LEU . 41.2 tp -107.41 103.38 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 2.51 110.714 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.09 115.35 32.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 1.83 111.019 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.572 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 7.7 p80 -131.6 143.56 50.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.983 -0.553 . . . . 2.43 110.264 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -147.57 171.7 15.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.398 . . . . 3.95 111.275 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.45 HD22 ' HE2' ' A' ' 126' ' ' LYS . 2.3 m-20 -54.33 112.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 2.19 110.814 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -78.92 -15.02 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.77 111.631 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HE2' HD22 ' A' ' 124' ' ' ASN . 56.7 pttt -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 3.65 111.036 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.428 ' HB3' ' HB2' ' A' ' 132' ' ' LYS . 56.0 m-85 -81.9 -29.13 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 4.38 110.849 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.95 56.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 2.22 112.347 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.93 143.8 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 3.07 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 134' ' ' VAL . 52.0 p90 -75.02 -28.8 60.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 3.08 110.663 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.31 -22.28 70.95 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 2.36 112.052 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 127' ' ' TYR . 46.6 mmtm -90.5 -38.57 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 3.63 110.72 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 1.73 111.83 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 130' ' ' PHE . 16.2 m -70.63 2.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 2.3 111.824 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -72.22 -13.77 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 3.84 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.44 155.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.008 -0.542 . . . . 3.22 110.505 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.04 -16.39 32.57 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.53 2.153 . . . . 2.44 112.135 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -115.26 -12.68 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 2.64 110.838 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.17 -95.27 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.04 -0.6 . . . . 1.49 112.52 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.43 163.38 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.656 0.265 . . . . 1.76 110.355 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 209' ' ' ILE . . . -122.74 164.91 17.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.923 0.392 . . . . 0.98 111.529 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.62 145.06 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 1.3 110.499 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 74.0 mt -104.44 144.12 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 2.1 111.061 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -98.98 116.49 5.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 1.4 112.367 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 211' ' ' LEU . 32.5 mm -124.2 144.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.398 0.142 . . . . 1.53 111.093 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.4 t80 79.84 -61.25 0.3 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.735 0.647 . . . . 4.48 110.65 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.8 mt 55.93 -88.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 3.25 111.994 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.39 158.45 21.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.692 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.9 153.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 3.13 111.089 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.58 141.64 4.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 3.15 112.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.6 m 58.51 75.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 3.85 110.715 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 217' ' ' VAL . . . -61.03 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.058 -0.519 . . . . 3.82 111.684 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 19.4 pttm -56.38 136.06 76.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 5.19 111.362 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 7.9 Cg_exo -73.1 11.15 0.97 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.688 2.259 . . . . 3.09 111.94 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.16 64.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.067 -0.587 . . . . 2.71 112.11 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 159' ' ' VAL . 80.9 mt -129.36 26.68 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.94 110.923 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -54.67 -21.42 10.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 3.55 111.368 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -58.07 -33.1 68.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 4.82 111.112 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 156' ' ' LEU . 5.9 p -65.88 -25.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.369 -0.378 . . . . 3.12 110.866 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.75 -26.35 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 3.14 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.97 -54.75 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 3.01 110.467 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.91 -27.07 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 2.46 110.807 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -32.34 71.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 2.31 110.939 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.65 -12.55 4.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 2.42 110.784 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -69.92 -7.05 37.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.125 -0.489 . . . . 1.85 111.04 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.558 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -125.05 51.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 2.44 110.551 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.444 ' HD2' HD13 ' A' ' 228' ' ' LEU . 58.8 tptt -50.52 -42.29 54.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.973 -0.558 . . . . 3.75 110.648 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 73.0 p -105.27 144.88 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 2.36 110.74 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -79.68 143.45 34.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.961 0.41 . . . . 3.46 111.026 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -10.02 26.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.958 -0.639 . . . . 2.2 112.694 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -95.51 175.83 6.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.785 0.326 . . . . 3.33 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 83.9 p -122.88 165.94 15.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.514 . . . . 2.27 110.993 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.21 148.87 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 1.89 110.885 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.61 148.42 25.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 3.74 111.079 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -156.25 105.43 2.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 4.47 110.955 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.7 t -123.75 -179.96 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 4.59 110.863 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.3 m120 61.2 56.83 2.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.183 -0.462 . . . . 6.35 110.983 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.95 146.56 54.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 4.67 110.626 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.76 113.15 54.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 3.92 110.971 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.12 -9.93 17.85 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.073 . . . . 4.59 112.7 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -74.46 -14.47 60.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.371 . . . . 8.64 110.756 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -83.95 -3.78 88.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.651 -0.785 . . . . 3.43 112.343 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 79.6 mt -114.59 11.92 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.587 0.232 . . . . 5.71 111.027 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.7 137.97 77.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 4.53 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.57 129.95 8.62 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.514 2.143 . . . . 3.71 112.269 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -79.54 -32.5 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 6.38 110.981 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 36.2 t -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 5.07 111.057 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.6 mt -91.38 46.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 4.32 111.001 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 13.2 m-20 -147.72 160.88 42.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 3.78 110.751 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.6 175.98 5.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 3.36 110.617 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.596 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.4 m-90 -118.27 164.77 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 4.16 110.481 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 257' ' ' ALA . 11.8 t -138.48 169.22 18.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.85 0.357 . . . . 1.5 111.335 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -154.45 87.72 3.46 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 2.91 110.683 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.636 ' HA ' HG23 ' A' ' 207' ' ' THR . 38.1 Cg_endo -65.4 127.96 19.29 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.494 2.129 . . . . 1.48 112.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -163.45 -138.48 2.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.825 -0.702 . . . . 1.64 112.257 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 204' ' ' GLU . 83.4 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.546 0.213 . . . . 2.75 110.557 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 203' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.216 0.531 . . . . 5.02 111.423 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 196' ' ' SER . 30.0 tt0 -101.85 23.61 11.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.524 0.678 . . . . 3.98 109.246 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 87.1 m -86.32 30.33 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.006 -0.997 . . . . 2.48 111.138 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.74 110.52 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 1.8 111.098 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 194' ' ' PRO . 47.3 m -113.12 143.57 44.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 1.27 111.327 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -111.65 115.28 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.708 HD13 ' HB1' ' A' ' 141' ' ' ALA . 2.6 mp -101.99 142.32 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 1.45 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 191' ' ' TRP . 11.1 m -125.95 132.47 70.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 2.12 111.221 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 145' ' ' ILE . 91.5 mt -68.99 165.4 20.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 3.85 111.335 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -74.28 -55.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 5.85 111.34 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.17 75.33 11.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 5.91 110.875 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.17 173.59 14.26 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.578 2.185 . . . . 3.58 112.362 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 7.1 tp -66.39 133.72 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 4.42 111.093 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 80.3 p -137.1 172.92 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 3.53 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 152' ' ' ALA . 46.7 t -127.31 137.85 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 2.45 111.042 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 43.2 t -71.42 148.07 47.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.17 -0.468 . . . . 3.39 111.057 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.8 m -68.73 -15.36 63.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 2.82 111.064 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.21 -40.54 90.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.918 0.39 . . . . 4.51 110.508 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -76.98 -17.47 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 3.92 110.715 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 51.6 t -79.58 -22.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 2.44 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.08 -33.21 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 2.8 110.748 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.25 -30.93 25.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.932 -0.577 . . . . 3.78 111.161 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -70.03 -15.75 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 3.33 110.814 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -67.08 -15.11 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 4.82 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -69.13 -28.52 66.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 3.25 110.799 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 167' ' ' LYS . 3.9 mm? -63.64 158.02 22.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 2.93 110.74 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -88.13 144.41 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 2.92 110.82 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 46.8 p90 -95.8 3.42 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 5.3 111.163 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 4.3 111.119 -179.603 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.84 0.352 . . . . 5.11 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.428 ' HE3' ' HB2' ' A' ' 240' ' ' MET . 58.2 mtm -82.11 41.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 5.21 111.385 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.06 132.98 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 3.44 110.967 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.2 t70 179.51 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 3.67 110.63 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -88.71 38.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 3.74 111.547 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . 0.453 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 63.3 p-90 -97.26 149.52 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 3.25 110.389 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.666 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 31.5 mtp180 -140.74 146.05 42.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 3.78 111.201 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 30' ' ' PRO . 95.0 Cg_endo -85.37 171.79 8.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.711 2.274 . . . . 2.43 111.751 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' PRO . . . -166.91 45.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 3.18 111.121 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -55.7 140.43 67.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 5.35 110.94 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.65 126.06 7.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.373 2.049 . . . . 4.02 112.455 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 60.8 tp -77.56 -48.74 16.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 3.94 110.593 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -165.73 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 6.83 110.835 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -173.98 163.36 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.02 111.16 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -175.42 149.06 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 5.82 110.499 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -102.3 125.25 48.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.036 0.446 . . . . 3.22 110.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 33' ' ' ILE . 1.1 pp -116.42 145.84 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 2.02 111.397 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -91.66 156.91 17.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 2.91 110.668 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.621 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -163.87 147.66 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.46 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.3 t -63.46 -22.21 66.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.095 0.474 . . . . 2.32 110.092 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 85.1 t80 -112.01 161.45 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.56 -0.746 . . . . 3.3 110.293 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 67.1 mttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.134 -0.936 . . . . 4.59 111.251 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.669 0.271 . . . . 3.57 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.84 126.99 9.8 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.716 2.277 . . . . 2.88 112.193 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 32' ' ' ASP . 35.0 t -127.53 158.89 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.26 -0.427 . . . . 2.26 110.571 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HA ' HG23 ' A' ' 108' ' ' THR . 7.1 m-20 -92.03 98.78 11.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.375 . . . . 2.44 110.259 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 255' ' ' ILE . 3.7 mp -86.49 129.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.17 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -113.21 128.81 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 1.51 111.009 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -62.1 -20.85 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.95 111.19 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -82.97 -39.38 21.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 3.43 110.959 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 p -74.25 -14.97 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 1.73 110.866 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.97 151.26 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 1.29 110.645 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -146.15 149.89 34.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 3.53 111.074 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -62.05 135.57 57.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 4.17 111.006 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -122.72 95.29 46.68 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.412 . . . . 3.04 110.877 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.71 40.05 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.708 2.272 . . . . 2.3 112.653 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.91 -45.48 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 3.07 110.977 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.4 tp -169.06 95.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 3.08 110.659 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -89.52 155.17 48.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 4.28 110.597 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.41 160.52 13.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.363 2.042 . . . . 2.41 111.838 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 tp -94.97 -65.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 5.24 110.717 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -136.16 151.71 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 2.67 110.965 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.61 113.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 2.44 111.475 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' HG12 ' A' ' 78' ' ' VAL . 21.3 t -113.73 147.43 38.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 2.58 110.655 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -171.49 34.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 4.87 111.083 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -88.51 -23.32 23.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 4.17 110.194 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -98.09 -2.88 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.583 -0.735 . . . . 4.62 110.555 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.27 120.57 4.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.059 -0.519 . . . . 1.97 111.256 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 178' ' ' PHE . 89.5 m -142.74 143.86 32.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.174 -0.466 . . . . 1.9 111.191 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -92.13 157.22 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.87 110.524 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -128.01 -39.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.385 . . . . 3.58 111.812 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -150.52 153.06 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 4.62 111.403 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.6 mt -132.09 104.69 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.05 -0.523 . . . . 1.72 110.805 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -113.12 153.04 28.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 2.58 110.958 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.669 HD22 ' HA ' ' A' ' 169' ' ' LYS . 46.7 m-20 -96.75 157.51 15.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.86 0.362 . . . . 1.94 111.02 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -106.52 23.49 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 3.13 111.429 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.25 81.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.373 -0.918 . . . . 2.64 112.342 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -161.88 -57.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 4.34 110.619 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.93 168.66 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 2.12 110.504 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -120.27 133.91 55.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.929 0.395 . . . . 3.39 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.86 152.4 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 2.57 110.848 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.45 147.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.95 110.785 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -129.06 163.37 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 3.84 110.999 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.65 167.47 10.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 4.12 111.216 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.99 122.7 18.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 3.04 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.99 -10.55 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 3.88 110.731 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -56.72 -35.83 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 3.2 110.959 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -168.01 172.52 8.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 4.06 111.178 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.3 124.23 31.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 2.84 110.814 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 71.4 mmtt -90.46 -79.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 3.26 111.398 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.53 136.55 33.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.501 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 14.9 p -110.85 148.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 1.72 110.876 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -143.26 117.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 2.3 111.18 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -134.35 152.61 51.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.221 -0.445 . . . . 2.67 110.304 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.86 95.96 0.77 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.484 -0.865 . . . . 2.5 112.886 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.14 -147.85 40.09 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.507 -0.854 . . . . 2.63 112.459 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.81 30.6 0.44 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.596 2.197 . . . . 4.13 112.604 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.74 117.98 12.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 3.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 5.04 111.055 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.14 44.96 3.4 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.589 -0.815 . . . . 1.92 112.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -67.72 152.15 46.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 1.68 111.199 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -150.4 142.1 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 3.43 110.063 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HG3' ' HA ' ' A' ' 78' ' ' VAL . 3.7 mpt_? -96.84 111.63 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.991 0.425 . . . . 3.79 111.389 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 122' ' ' HIS . 20.8 tp -128.42 143.47 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 2.52 110.623 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 tp -160.03 92.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.294 0.569 . . . . 2.47 111.464 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -154.03 132.92 12.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.338 -0.846 . . . . 2.41 110.074 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -154.2 160.78 42.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.57 111.719 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.7 p-80 -123.03 167.99 12.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.39 154.4 27.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.024 0.44 . . . . 3.19 111.946 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -116.07 168.59 9.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.738 -0.665 . . . . 1.68 110.334 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -175.51 88.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 5.75 110.433 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 244' ' ' TRP . . . -58.95 179.61 1.48 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.85 -0.69 . . . . 3.04 112.873 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.9 m -70.63 -17.93 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.715 0.293 . . . . 4.29 111.108 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.57 139.85 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 5.2 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -97.75 -4.78 36.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 5.33 111.053 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.09 -45.95 2.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 4.18 112.118 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 11.6 pt20 -172.11 149.59 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 4.67 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 1.95 112.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -90.28 156.18 18.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.529 0.204 . . . . 2.04 110.467 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -54.83 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 2.64 110.822 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -87.61 176.02 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 2.11 110.592 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.5 t -141.6 99.16 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 1.88 111.251 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 33' ' ' ILE . 20.0 m -89.15 158.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 2.24 111.019 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.5 t70 53.42 28.1 7.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 2.18 110.831 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mttp 63.64 1.2 1.0 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 3.37 111.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -106.71 149.46 27.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 3.86 110.996 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 113' ' ' LYS . 4.4 ttmp? -111.09 150.02 29.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 2.57 110.783 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -108.44 168.05 9.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 2.18 110.923 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -84.06 -51.92 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 1.72 111.127 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.16 167.24 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.55 111.064 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HA ' ' H ' ' A' ' 147' ' ' LEU . 12.3 pt-20 -152.63 142.2 21.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 2.4 111.364 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 145' ' ' ILE . 2.9 pp -92.22 148.01 22.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.221 -0.445 . . . . 2.07 110.363 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -120.54 108.65 14.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 1.71 111.619 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.5 tt -105.56 118.69 37.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 2.51 110.109 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.8 t -95.61 147.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 1.83 111.468 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.658 ' HA ' HD23 ' A' ' 90' ' ' LEU . 83.1 t60 -131.87 148.91 52.57 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.149 -0.478 . . . . 2.43 111.147 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 14.0 p90 -163.79 151.74 12.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 3.95 110.9 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.55 150.92 25.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 2.19 111.244 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 t -82.61 -15.07 53.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 1.77 111.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -63.04 -25.45 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 3.65 110.618 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -85.38 -13.73 48.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 4.38 110.727 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.1 -33.67 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 2.22 112.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -170.74 170.54 6.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.07 111.072 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -65.92 -20.9 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 3.08 110.982 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.57 96.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 2.36 112.526 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -86.35 -23.05 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.005 0.431 . . . . 3.63 110.444 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.27 69.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 1.73 111.002 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.18 -14.94 11.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.143 -0.481 . . . . 2.3 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.68 7.04 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 3.84 111.178 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -130.83 155.09 81.9 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 3.22 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.97 -51.53 4.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.303 2.002 . . . . 2.44 112.006 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -111.81 26.48 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 2.64 110.879 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.91 -51.77 47.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 1.49 112.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.84 158.52 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 1.76 110.76 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.27 159.38 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.98 111.138 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.9 t -119.35 109.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.3 111.057 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.527 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 3.5 mm? -86.8 107.91 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 2.1 110.738 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -101.6 117.79 5.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 1.4 112.328 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.594 HD12 HD11 ' A' ' 118' ' ' LEU . 86.5 mt -113.9 138.08 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.902 0.382 . . . . 1.53 111.362 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -105.74 115.21 29.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.012 -0.54 . . . . 4.48 110.982 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.485 HD21 HD23 ' A' ' 118' ' ' LEU . 94.3 mt -64.91 151.16 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 3.25 110.947 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 216' ' ' SER . 23.0 pttp -112.91 134.67 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 4.32 110.524 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.58 144.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 3.13 111.213 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.72 170.35 12.72 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.827 -0.701 . . . . 3.15 112.495 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.9 m 60.11 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.898 0.38 . . . . 3.85 110.928 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.4 ' HA ' ' OG ' ' A' ' 218' ' ' SER . . . -62.18 179.43 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.946 -0.57 . . . . 3.82 111.624 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.2 115.75 22.15 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.015 -0.539 . . . . 5.19 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.41 -6.81 15.73 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.406 2.071 . . . . 3.09 112.077 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.39 65.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.237 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 159' ' ' VAL . 17.3 tp -121.48 25.9 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 3.94 110.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.33 -21.41 49.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 3.55 110.985 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -52.14 -47.84 65.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 4.82 111.731 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.494 HG12 ' HG ' ' A' ' 156' ' ' LEU . 13.2 p -75.89 -25.05 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 3.12 111.403 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.8 -25.8 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.035 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.33 -44.15 53.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 3.01 110.736 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.62 -21.32 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.181 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -45.29 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 2.31 111.011 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.76 -16.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 2.42 110.71 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.2 t -83.89 -39.83 19.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.993 -0.549 . . . . 1.85 110.798 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.67 37.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 2.44 111.162 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -58.8 -48.88 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 3.75 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 67.7 p -95.81 148.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 2.36 111.01 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.669 ' HA ' HD22 ' A' ' 61' ' ' ASN . 3.9 mptp? -61.38 143.73 55.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 3.46 110.909 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -15.21 25.4 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.95 -0.643 . . . . 2.2 112.153 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -98.27 173.46 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 3.33 110.92 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.7 p -157.25 165.07 36.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 2.27 110.796 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.82 130.37 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.89 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -78.9 140.61 38.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 3.74 111.015 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -155.33 105.06 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 4.47 110.587 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.768 HG23 HD22 ' A' ' 177' ' ' ASN . 5.2 t -109.75 179.27 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 4.59 110.885 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . 0.768 HD22 HG23 ' A' ' 176' ' ' THR . 50.3 m-80 60.9 57.0 2.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.909 0.385 . . . . 6.35 111.163 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . 0.657 ' H ' HG23 ' A' ' 55' ' ' THR . 76.7 t80 -82.07 146.75 29.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 4.67 110.481 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -115.75 84.93 13.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 3.92 111.123 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.55 -18.93 66.15 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.433 2.089 . . . . 4.59 111.992 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . 0.483 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 87.1 mtm180 -75.24 -35.11 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 8.64 110.463 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -61.19 -22.63 61.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.596 -0.812 . . . . 3.43 111.924 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 72.1 mt -118.78 1.27 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 5.71 110.839 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 32.3 tp -62.89 116.68 25.92 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 4.53 111.08 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.37 141.46 14.26 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.377 2.051 . . . . 3.71 112.405 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.32 -7.9 52.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 6.38 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 149.6 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 5.07 110.737 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 189' ' ' ASP . 3.4 tt -149.21 127.93 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 4.32 110.816 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.508 ' N ' HD23 ' A' ' 188' ' ' LEU . 4.5 p30 -170.51 144.33 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 3.78 110.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -144.92 141.11 28.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 3.36 111.296 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 209' ' ' ILE . 35.7 m0 -119.43 170.21 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 4.16 110.563 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.591 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 7.0 t -145.86 153.1 40.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 1.5 111.477 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . 0.427 ' HD1' ' HG2' ' A' ' 256' ' ' LYS . 92.8 t80 -172.3 126.95 0.55 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.085 -0.507 . . . . 2.91 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.13 127.71 20.94 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.175 1.917 . . . . 1.48 111.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -96.16 156.22 21.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.64 112.929 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--N 1.332 -0.18 0 N-CA-C 110.267 -0.272 . . . . 2.75 110.267 179.664 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.892 0.377 . . . . 5.02 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.49 34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 3.98 111.22 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 40.7 t -85.05 -8.82 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.194 0.521 . . . . 2.48 110.187 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.16 115.12 31.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 1.8 110.912 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.493 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 16.8 m -90.95 142.09 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 1.27 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -116.78 114.71 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.447 . . . . 2.43 111.699 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.527 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 2.9 mp -102.24 146.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 1.45 109.946 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 16.9 m -130.36 136.9 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.065 0.46 . . . . 2.12 112.2 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 211' ' ' LEU . 3.4 mm? 59.04 39.58 23.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.646 -0.706 . . . . 3.85 111.187 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.1 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.379 . . . . 5.85 110.534 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -164.69 83.04 1.22 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.22 -0.446 . . . . 5.91 110.88 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.53 151.16 64.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.617 2.212 . . . . 3.58 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.66 147.94 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.06 -0.518 . . . . 4.42 110.686 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 148' ' ' LYS . 39.2 t -83.47 107.13 15.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 3.53 111.313 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 147' ' ' LEU . 26.5 m -144.69 144.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 2.45 110.404 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 222' ' ' VAL . 84.7 p -116.42 158.59 23.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 3.39 111.488 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 78.3 p -56.19 -27.99 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 2.82 110.595 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.55 -36.28 82.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 4.51 109.96 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -77.11 -27.09 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 3.92 110.053 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 218' ' ' SER . 14.3 t -76.35 -13.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.44 110.467 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.5 tp -62.79 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.6 . . . . 2.8 110.834 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.48 ' HD2' ' H ' ' A' ' 224' ' ' LYS . 1.2 mptp? -85.68 -33.14 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 3.78 110.983 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -75.53 -25.86 57.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 3.33 111.358 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.427 ' HD2' HD12 ' A' ' 223' ' ' LEU . 11.3 ptp180 -81.26 -5.85 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 4.82 110.89 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 97.5 mttt -69.96 -28.61 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 3.25 110.794 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.48 162.01 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.048 -0.524 . . . . 2.93 110.781 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.89 157.45 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 2.92 110.854 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.76 -6.06 7.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 5.3 110.643 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 4.3 110.57 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.74 0.305 . . . . 5.11 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 44.8 ttm -65.75 99.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 5.21 110.83 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 242' ' ' ASP . 16.8 m -142.55 178.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 3.44 111.442 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 241' ' ' VAL . 12.8 m-20 67.72 28.19 7.33 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.9 -0.591 . . . . 3.67 110.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.51 23.45 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 3.74 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . 0.495 ' HB3' ' HA3' ' A' ' 98' ' ' GLY . 14.8 p-90 -106.26 170.73 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 3.25 110.618 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -136.88 156.62 75.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 3.78 110.719 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 172.44 1.74 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.328 2.019 . . . . 2.43 112.277 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -155.35 32.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.12 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.11 110.14 2.44 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.108 -0.497 . . . . 5.35 111.224 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.37 127.09 18.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.489 2.126 . . . . 4.02 112.104 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 250' ' ' LEU . 2.9 mm? -78.1 -48.79 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 3.94 110.604 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -170.41 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 6.83 110.73 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -165.03 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 5.02 110.762 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 61.87 151.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.053 -0.522 . . . . 5.82 111.588 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -105.52 135.23 47.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 3.22 110.533 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.602 HG21 HG23 ' A' ' 33' ' ' ILE . 8.4 tp -116.07 142.34 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 2.02 111.348 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . 0.427 ' HG2' ' HD1' ' A' ' 193' ' ' TYR . 21.0 ptmt -112.2 168.48 9.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 2.91 110.18 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.591 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.47 152.15 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.46 111.488 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.537 ' N ' HG22 ' A' ' 192' ' ' THR . 37.8 t -73.51 -22.02 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.763 -0.653 . . . . 2.32 109.992 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -112.19 142.58 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 3.3 110.51 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.262 -0.875 . . . . 4.59 111.081 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.455 0.169 . . . . 3.57 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.02 126.47 21.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.585 2.19 . . . . 2.88 112.291 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.4 m -137.02 177.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.17 -0.468 . . . . 2.26 110.958 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.54 98.59 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 2.44 110.756 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.9 mp -88.57 132.39 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.53 111.054 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 7.1 m-20 -112.82 129.25 56.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 1.51 111.07 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -80.08 -45.15 18.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 1.95 110.914 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -65.38 -31.49 72.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 3.43 110.551 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 34' ' ' ASP . 27.7 m -86.23 -22.28 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 1.73 111.214 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.13 157.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 1.29 111.214 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -123.14 134.51 54.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 3.53 111.07 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -77.25 131.49 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 4.17 110.834 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -130.09 90.96 40.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 3.04 110.991 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.19 32.1 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.648 2.232 . . . . 2.3 112.334 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -68.98 -20.75 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 3.07 111.366 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.0 tp -154.23 112.19 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 3.08 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.03 144.72 29.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 4.28 110.901 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 45.4 Cg_exo -57.26 130.0 37.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.554 2.169 . . . . 2.41 111.913 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.24 -68.2 0.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.404 -0.362 . . . . 5.24 111.426 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 m -135.87 151.94 50.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 2.67 111.409 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.28 123.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.423 . . . . 2.44 111.383 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.3 t -113.39 150.78 32.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 2.58 110.725 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -168.9 39.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.063 0.459 . . . . 4.87 110.999 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -92.78 -39.54 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 4.17 110.5 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -80.38 -14.48 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 4.62 110.727 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.554 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.58 120.5 7.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 1.97 111.0 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -157.93 148.78 20.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 1.9 111.124 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 175' ' ' PHE . 63.0 m -81.89 151.19 27.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 1.87 110.64 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HH11 ' A' ' 58' ' ' ARG . 31.8 tp -110.61 -39.25 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 3.58 111.318 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.552 HH11 ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -172.13 161.71 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 4.62 110.764 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.1 mt -128.99 104.01 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 1.72 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.21 143.76 43.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 2.58 110.996 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 66' ' ' PHE . 1.8 m-20 -105.7 162.67 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 1.94 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -106.33 23.51 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 3.13 111.439 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.79 9.14 82.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 2.64 112.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -151.67 -57.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 4.34 110.468 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.89 153.81 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 2.12 110.514 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 28.6 p90 -120.84 133.84 55.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 3.39 111.534 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.441 HD22 HE21 ' A' ' 92' ' ' GLN . 3.2 m-20 -132.63 150.22 52.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 2.57 110.281 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.85 111.9 37.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 1.95 111.215 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.02 143.8 26.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 3.84 110.925 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.407 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . 22.5 m-85 -103.58 149.34 24.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 4.12 110.767 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 27.0 t70 -58.8 105.3 0.3 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.546 . . . . 3.04 111.55 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.95 34.63 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 3.88 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -60.31 -43.63 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 3.2 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -143.23 -74.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 4.06 111.093 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.92 164.92 33.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 2.84 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 30.9 mtmm -143.7 -83.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 3.26 111.417 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.79 144.73 51.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 1.42 111.171 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.425 ' HB ' ' OG1' ' A' ' 87' ' ' THR . 19.6 m -138.36 132.43 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.669 . . . . 1.72 110.659 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tt -128.93 123.0 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 2.3 111.053 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -123.88 148.4 46.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 2.67 110.66 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -119.62 84.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.821 -0.704 . . . . 2.5 112.544 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.92 -173.23 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.841 -0.695 . . . . 2.63 112.323 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.94 2.3 5.57 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.034 . . . . 4.13 112.075 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.73 152.18 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 3.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -105.7 12.18 31.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 5.04 110.734 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.12 62.69 0.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 1.92 112.444 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.425 ' OG1' ' HB ' ' A' ' 78' ' ' VAL . 9.8 t -67.1 144.3 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 1.68 111.021 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -91.18 136.25 33.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 3.43 111.012 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -102.42 141.21 35.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 3.79 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 120' ' ' LEU . 6.5 mp -84.34 141.81 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 2.52 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -117.31 -68.98 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 111.935 0.346 . . . . 2.47 111.935 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.441 HE21 HD22 ' A' ' 67' ' ' ASN . 19.9 pt20 -159.18 169.3 24.45 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.627 0.251 . . . . 2.41 111.339 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 54.1 p90 -152.0 162.48 41.02 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.88 0.371 . . . . 1.57 110.981 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.438 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.7 p-80 -131.0 168.9 16.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 1.29 110.892 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -110.8 157.76 19.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.94 0.4 . . . . 3.19 111.583 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.59 173.82 7.18 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.865 -0.607 . . . . 1.68 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -157.9 133.92 9.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 5.75 110.632 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.55 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -76.76 157.07 46.91 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.868 -0.682 . . . . 3.04 112.627 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t -79.3 -17.51 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 4.29 110.777 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 tp -87.52 152.58 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.316 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -87.22 21.6 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 5.33 110.812 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.69 -49.25 0.11 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.846 -0.693 . . . . 4.18 112.642 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -169.93 173.52 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.821 0.343 . . . . 4.67 111.126 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.79 80.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 1.95 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.9 t -95.15 -75.49 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.665 0.269 . . . . 2.04 110.932 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 245' ' ' ARG . 32.5 tt0 -175.8 -76.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 2.64 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -80.56 173.23 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 2.11 110.672 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 m -133.74 79.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.389 . . . . 1.88 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.488 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.8 m -81.98 147.55 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 2.24 111.183 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 51.21 39.64 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 2.18 110.82 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 56.22 25.15 8.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 3.37 111.548 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -135.74 155.49 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.402 . . . . 3.86 111.332 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -123.34 152.77 41.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.55 . . . . 2.57 110.525 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.41 170.7 7.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 2.18 111.058 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.44 43.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.346 -0.388 . . . . 1.72 111.302 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.96 169.37 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.55 110.81 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -152.78 138.69 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.733 0.301 . . . . 2.4 111.265 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 147' ' ' LEU . 4.0 pp -86.74 143.91 27.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 2.07 110.456 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.438 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -109.42 97.22 6.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 1.71 111.176 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.598 HD21 HD23 ' A' ' 90' ' ' LEU . 58.2 tp -105.84 122.61 46.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 2.51 111.037 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.95 123.59 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 1.83 110.841 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -128.08 107.21 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 2.43 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -111.49 159.18 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 3.95 110.978 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.02 128.05 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 2.19 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -63.03 -14.91 53.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 1.77 111.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.53 -28.88 69.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 3.65 110.701 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HB3' ' HB3' ' A' ' 132' ' ' LYS . 59.8 m-85 -93.21 -28.96 15.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 4.38 110.852 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.91 -6.17 35.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.846 -0.693 . . . . 2.22 112.593 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -168.9 158.77 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 3.07 110.922 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -73.02 -19.51 61.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.982 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.95 95.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 2.36 112.453 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 127' ' ' TYR . 87.5 tttt -85.57 -21.26 28.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 3.63 110.507 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.45 ' O ' ' HA2' ' A' ' 139' ' ' GLY . . . -70.24 -53.62 16.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.948 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.3 m -53.28 -16.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.024 -0.535 . . . . 2.3 111.658 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.05 13.55 1.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 3.84 110.599 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -131.62 153.42 81.52 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.842 -0.617 . . . . 3.22 110.46 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.71 -17.63 50.85 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.592 2.195 . . . . 2.44 112.449 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.28 -13.21 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 2.64 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 133' ' ' ALA . . . 42.6 -123.91 3.78 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 116.035 -0.529 . . . . 1.49 112.737 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 167.66 17.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 1.76 110.647 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -113.69 132.88 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.98 111.059 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 132.42 61.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.356 . . . . 1.3 111.372 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 211' ' ' LEU . 13.9 tp -86.87 144.12 27.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 2.1 110.542 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 210' ' ' VAL . . . -121.13 112.97 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.617 -0.802 . . . . 1.4 112.818 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.412 HG12 HD12 ' A' ' 211' ' ' LEU . 71.9 mt -130.41 107.31 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 1.53 110.984 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -69.13 160.53 30.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 4.48 110.796 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 118' ' ' LEU . 98.8 mt -138.76 111.75 7.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 3.25 110.971 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -112.52 147.23 37.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 4.32 110.77 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.27 155.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 3.13 111.466 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 83.32 76.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.854 -0.689 . . . . 3.15 112.73 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -165.6 37.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 3.85 110.852 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 61.79 155.46 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.047 -0.524 . . . . 3.82 111.211 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 4.6 ttmp? -89.98 132.65 35.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 5.19 110.5 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.436 ' HG2' ' HG ' ' A' ' 156' ' ' LEU . 91.0 Cg_endo -80.98 25.84 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.405 2.07 . . . . 3.09 112.474 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.12 44.05 8.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 2.71 112.653 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.436 ' HG ' ' HG2' ' A' ' 154' ' ' PRO . 79.4 mt -104.43 18.72 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 3.94 110.702 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.74 -21.9 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 3.55 110.796 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.01 -35.04 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.958 -0.565 . . . . 4.82 110.933 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.469 HG21 HD22 ' A' ' 177' ' ' ASN . 42.6 t -62.97 -24.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.12 110.627 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' A' ' 224' ' ' LYS . 98.2 t -65.4 -32.35 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 3.14 110.683 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.11 -51.19 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 110.516 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.0 -17.9 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 2.46 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -51.98 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 2.31 111.068 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.61 -12.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 2.42 111.103 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.9 t -86.35 -38.05 17.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 1.85 110.836 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 13.3 pt -91.42 42.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 2.44 111.049 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.85 -40.19 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 3.75 110.752 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 134.18 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.36 111.323 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.539 ' HE3' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.65 145.75 31.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 3.46 110.998 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 93.07 3.84 65.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.874 -0.679 . . . . 2.2 113.041 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -109.39 149.86 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 3.33 110.932 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.3 p -97.26 165.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 2.27 111.243 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.63 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 1.89 111.117 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.93 155.79 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 3.74 110.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 50.7 p90 -61.44 136.35 58.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 4.47 110.943 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.9 t -143.83 -172.51 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 4.59 110.773 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . 0.469 HD22 HG21 ' A' ' 159' ' ' VAL . 15.7 t-20 60.07 56.81 3.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 6.35 111.08 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -93.09 142.35 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 4.67 110.574 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.52 91.0 32.41 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 3.92 111.337 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.64 -38.7 23.6 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.38 2.053 . . . . 4.59 111.757 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.08 -19.24 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 8.64 110.679 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.55 2.68 29.38 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 3.43 112.572 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.09 14.26 2.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.719 0.295 . . . . 5.71 110.753 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.21 151.21 27.89 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.445 . . . . 4.53 110.955 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -52.09 131.94 41.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.584 2.19 . . . . 3.71 112.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.81 -7.13 59.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 6.38 110.94 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 21.7 p 60.14 175.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.923 -0.58 . . . . 5.07 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.36 58.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 4.32 110.95 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -147.85 126.95 12.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.525 . . . . 3.78 110.869 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' A' ' 259' ' ' PHE . 43.5 p90 -168.66 158.01 8.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.395 -0.366 . . . . 3.36 110.689 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.717 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.0 m-90 -97.94 153.76 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 4.16 110.571 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.525 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -155.87 145.27 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 1.5 111.401 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -144.08 112.03 5.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 2.91 110.569 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.488 ' HA ' HG22 ' A' ' 207' ' ' THR . 50.3 Cg_exo -53.49 149.02 32.11 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.54 2.16 . . . . 1.48 112.688 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -143.69 -141.97 3.88 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.852 -0.689 . . . . 1.64 112.387 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 203' ' ' LEU . 80.7 p . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 120.765 0.317 . . . . 2.75 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 196' ' ' SER . 80.9 mt . . . . . 0 N--CA 1.46 0.057 0 CA-C-O 120.853 0.358 . . . . 5.02 111.313 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 16.87 3.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 3.98 110.538 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 78.6 m -58.35 -17.45 20.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 2.48 110.988 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 45.9 t -123.97 122.65 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.8 111.155 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 194' ' ' PRO . 33.6 p -112.86 149.39 33.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 1.27 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -94.26 119.92 33.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.848 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.8 mp -115.03 140.56 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 1.45 110.72 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.494 HG12 ' HA3' ' A' ' 144' ' ' GLY . 11.0 m -137.22 119.81 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 2.12 111.452 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 143' ' ' LEU . 85.0 mt -62.22 152.44 33.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.615 . . . . 3.85 111.038 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -81.12 -13.41 58.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 5.85 111.324 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.74 85.79 17.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 5.91 110.869 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.82 141.9 17.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.621 2.214 . . . . 3.58 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 49.9 mm -72.37 146.98 10.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 4.42 110.865 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 t -127.26 127.74 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 3.53 111.132 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.22 169.54 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 2.45 110.942 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 37.1 t -103.59 148.1 26.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 3.39 110.799 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 48.4 t -60.2 -26.59 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 2.82 110.624 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -85.16 -20.35 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 4.51 110.69 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.97 -44.71 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 3.92 110.678 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.04 -15.55 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 2.44 110.924 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 62.7 tp -50.85 -45.05 59.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 2.8 111.242 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 0.5 OUTLIER -66.2 -29.97 70.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.349 . . . . 3.78 110.915 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.33 -26.94 62.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 3.33 110.873 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -70.53 -16.1 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 4.82 110.741 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -80.16 -30.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 3.25 111.203 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.11 162.3 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 2.93 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -99.32 147.14 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 2.92 111.127 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.434 ' C ' ' HG2' ' A' ' 169' ' ' LYS . 80.2 m-85 -104.3 3.86 33.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 5.3 111.117 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 4.3 111.365 -179.085 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.72 0.295 . . . . 5.11 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 21.4 ptm 32.3 45.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.568 -0.742 . . . . 5.21 111.902 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 31.3 m -78.42 171.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.779 -0.646 . . . . 3.44 111.296 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 62.24 31.63 17.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 3.67 110.874 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.03 43.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 3.74 110.937 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . 0.55 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 48.7 p-90 -136.3 161.75 34.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.183 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.483 ' HB3' ' HG3' ' A' ' 106' ' ' GLU . 14.5 tpt180 -141.0 131.08 13.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.769 -0.65 . . . . 3.78 110.765 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.14 153.17 79.13 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.407 2.072 . . . . 2.43 112.252 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -106.21 156.54 18.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.402 -0.363 . . . . 3.18 111.24 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 155.16 75.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 5.35 110.801 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 137.91 36.32 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.435 2.09 . . . . 4.02 112.198 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.25 -43.56 92.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.869 -0.605 . . . . 3.94 110.662 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 62.14 5.99 1.66 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.697 -0.683 . . . . 6.83 111.475 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . 0.443 HD22 ' H ' ' A' ' 254' ' ' GLN . 4.7 t30 -104.24 -29.08 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 5.02 110.526 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 69.52 0.62 3.01 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.658 -0.701 . . . . 5.82 111.544 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . 0.443 ' H ' HD22 ' A' ' 252' ' ' ASN . 79.0 mt-30 -144.12 117.35 8.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.808 0.337 . . . . 3.22 111.252 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 33' ' ' ILE . 7.9 tp -115.57 138.98 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 2.02 110.496 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' A' ' 256' ' ' LYS . 0.0 OUTLIER -97.14 160.35 14.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 2.91 110.929 -179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.717 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -158.62 168.22 27.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 1.46 110.813 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.6 t -78.29 -39.16 40.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.194 -0.457 . . . . 2.32 110.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.563 ' HB2' ' H ' ' A' ' 190' ' ' TYR . 90.7 m-85 -140.63 135.52 31.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.579 . . . . 3.3 111.038 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 4.59 111.137 -179.76 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.645 0.259 . . . . 3.57 110.693 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 246' ' ' PRO . 18.8 Cg_endo -58.72 125.2 17.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.544 2.163 . . . . 2.88 112.169 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 33' ' ' ILE . 29.3 m -142.2 176.7 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.979 -0.555 . . . . 2.26 110.636 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -82.55 98.79 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.206 -0.452 . . . . 2.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.539 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 2.2 mm -76.96 140.84 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.62 . . . . 1.53 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -110.76 117.81 34.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.02 0.438 . . . . 1.51 111.009 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -80.28 -20.66 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.601 . . . . 1.95 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -79.45 -39.69 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 3.43 110.622 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -85.48 -13.78 48.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 1.73 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 152.47 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.29 111.224 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -135.09 138.31 43.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 3.53 110.786 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 29.1 p90 -83.55 150.42 25.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 4.17 110.969 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.84 130.65 23.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 3.04 110.597 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.53 34.53 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.393 2.062 . . . . 2.3 112.548 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -89.68 -33.5 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 3.07 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.8 mt -115.21 154.43 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 3.08 111.269 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.34 153.53 41.93 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.465 . . . . 4.28 110.943 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.16 125.66 19.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.388 2.059 . . . . 2.41 111.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.561 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 3.9 pp -97.88 155.65 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 5.24 111.188 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -123.24 140.36 53.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 2.67 110.803 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 24.8 m -102.72 139.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.594 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -113.51 149.57 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 2.58 110.597 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -167.45 40.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 4.87 110.779 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.39 -20.97 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 4.17 110.366 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 76' ' ' LYS . 13.4 pt20 -135.55 18.72 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 4.62 111.084 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -53.97 120.7 6.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.559 -0.291 . . . . 1.97 111.138 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 176' ' ' THR . 31.4 m -148.7 141.4 24.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 1.9 111.205 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.8 p -89.29 164.21 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 1.87 110.847 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -111.54 -38.92 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 3.58 111.282 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -177.77 168.93 2.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.393 -0.367 . . . . 4.62 110.868 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tt -132.87 117.47 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.072 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.33 154.04 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 2.58 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.39 156.55 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 1.94 110.666 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.79 23.49 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 3.13 110.951 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.05 -7.46 81.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.643 -0.789 . . . . 2.64 112.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -146.21 -66.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.718 0.294 . . . . 4.34 110.769 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.86 159.15 15.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.387 . . . . 2.12 110.803 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -124.45 137.09 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 3.39 110.95 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -132.96 150.95 52.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 2.57 110.666 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 93' ' ' PHE . 7.3 p -107.4 137.97 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 1.95 111.103 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -112.13 135.85 52.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.84 110.902 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -100.03 151.6 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 4.12 110.764 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.94 129.5 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 3.04 111.147 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -96.12 -19.3 19.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 3.88 110.977 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -69.93 -7.06 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 3.2 110.658 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -165.99 95.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.965 -0.561 . . . . 4.06 110.533 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.62 111.63 0.68 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 2.84 111.136 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 46.1 mmtm -82.62 -62.21 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 3.26 110.856 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -111.21 117.43 33.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 1.42 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 p -135.71 150.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.72 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -130.06 154.85 47.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.3 110.789 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG2' HG22 ' A' ' 87' ' ' THR . 52.3 mtpt -130.4 145.11 51.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.354 -0.384 . . . . 2.67 111.234 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA3' ' HB3' ' A' ' 47' ' ' LEU . . . -170.31 178.57 42.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.969 -0.634 . . . . 2.5 112.179 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.44 175.08 7.71 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.425 -0.893 . . . . 2.63 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.17 -50.38 2.9 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.674 2.249 . . . . 4.13 112.359 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.38 144.94 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 3.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -85.82 3.54 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 5.04 110.864 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.89 131.51 31.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.592 -0.813 . . . . 1.92 111.962 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 80' ' ' LYS . 33.5 p -87.44 156.31 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 1.68 111.463 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -119.44 118.01 29.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 3.43 110.892 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -103.45 151.2 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 3.79 110.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -82.66 140.56 33.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.89 0.376 . . . . 2.52 110.642 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 123' ' ' TRP . 7.4 mt -103.73 -75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 2.47 111.618 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -159.52 159.17 33.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.626 -0.261 . . . . 2.41 111.389 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HD2' HG12 ' A' ' 68' ' ' VAL . 3.2 p90 -122.55 159.44 27.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 1.57 110.301 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -152.61 169.1 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 1.29 111.127 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -110.49 150.86 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 3.19 110.506 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -99.74 147.84 25.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.68 111.05 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -85.72 156.0 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 5.75 110.712 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.9 -176.71 31.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.214 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.465 ' H ' ' HB3' ' A' ' 244' ' ' TRP . 69.6 m -93.49 -34.91 13.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 4.29 111.156 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.5 ' H ' ' HB2' ' A' ' 244' ' ' TRP . 8.0 mp -109.61 140.33 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 5.2 110.739 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -117.55 79.06 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 5.33 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.34 -37.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.81 -0.709 . . . . 4.18 112.459 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 3.6 pt20 -163.88 158.31 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 4.67 110.819 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.518 ' HA2' ' HD2' ' A' ' 113' ' ' LYS . . . 120.18 83.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 1.95 112.637 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.8 p -87.95 176.26 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.29 . . . . 2.04 110.762 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.37 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 2.64 111.003 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -91.66 164.97 13.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 2.11 110.36 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 113' ' ' LYS . 81.3 p -138.86 104.76 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.506 -0.316 . . . . 1.88 111.094 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.539 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.9 m -88.78 148.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.393 . . . . 2.24 111.217 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 17.2 t70 54.71 32.68 17.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.582 . . . . 2.18 110.564 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 59.18 23.62 11.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 3.37 110.803 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 46.5 mmtm -111.81 129.0 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 3.86 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.518 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 25.5 ttpp -108.32 147.84 30.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.4 . . . . 2.57 110.55 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.59 174.0 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.18 110.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -81.55 -53.34 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 1.72 111.051 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.99 173.03 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 1.55 110.832 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 132.36 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 2.4 111.772 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.5 mt -87.7 148.15 24.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 2.07 110.119 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 3.8 t-160 -119.5 95.52 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 1.71 111.011 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.57 123.03 47.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 2.51 110.945 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 142' ' ' VAL . 27.7 t -99.78 147.67 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.391 . . . . 1.83 111.021 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -124.21 137.22 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 2.43 111.008 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.463 ' HB3' HD11 ' A' ' 91' ' ' ILE . 5.6 p-90 -116.75 145.4 43.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 3.95 110.7 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -81.02 131.53 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 2.19 111.06 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 t -80.5 -15.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.77 110.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.7 -34.07 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.93 -0.577 . . . . 3.65 110.785 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -85.91 -29.84 23.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 4.38 110.718 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.11 -0.87 7.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.979 -0.629 . . . . 2.22 113.181 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.8 145.02 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 3.07 111.246 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -81.64 -30.65 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 3.08 110.651 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.29 65.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 2.36 112.175 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -86.54 -21.23 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.955 0.407 . . . . 3.63 110.412 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.46 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -76.42 -50.09 15.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 1.73 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.7 -23.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 2.3 111.337 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -78.17 -28.76 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 3.84 111.065 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.39 147.58 33.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 3.22 110.818 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.78 -13.01 34.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.485 2.124 . . . . 2.44 112.033 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.13 13.76 13.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.536 . . . . 2.64 110.825 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -52.03 -60.15 7.94 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.015 -0.612 . . . . 1.49 112.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -139.39 146.5 40.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.788 0.328 . . . . 1.76 110.753 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -115.68 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.98 111.037 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 121' ' ' VAL . 59.1 t -91.8 131.54 38.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.158 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD12 ' HB ' ' A' ' 209' ' ' ILE . 64.9 tp -108.15 139.25 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.1 110.827 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -107.72 112.15 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 1.4 112.406 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 48.2 mm -99.08 142.68 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.77 0.319 . . . . 1.53 111.156 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -111.19 165.19 12.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 4.48 111.054 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.97 140.93 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 3.25 110.852 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.41 139.1 40.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 4.32 110.997 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.37 141.81 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 3.13 110.912 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.26 -176.32 20.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 3.15 112.376 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.6 t 57.03 73.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 3.85 110.774 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.8 163.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 3.82 111.68 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.546 ' HB2' HE21 ' A' ' 221' ' ' GLN . 7.8 ttpm? -67.5 117.21 45.03 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 5.19 110.929 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.82 -22.51 20.1 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.288 1.992 . . . . 3.09 112.356 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 149.69 59.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.669 -0.777 . . . . 2.71 112.684 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.95 17.66 15.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 3.94 110.651 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.81 -25.91 61.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.929 -0.578 . . . . 3.55 111.16 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -63.19 -34.94 78.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 4.82 110.747 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.27 -26.33 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 3.12 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 224' ' ' LYS . 90.4 t -56.71 -32.05 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.044 -0.525 . . . . 3.14 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.61 -25.75 41.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 3.01 110.232 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.24 -19.23 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.691 -0.686 . . . . 2.46 110.946 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.15 -35.89 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 2.31 111.076 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.03 -12.68 12.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.01 -0.541 . . . . 2.42 110.866 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 37.3 t -65.2 -24.27 67.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 1.85 111.229 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -134.8 42.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 2.44 111.348 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.481 ' HA ' ' HG ' ' A' ' 228' ' ' LEU . 60.8 pttt -59.88 -34.31 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.338 -0.392 . . . . 3.75 111.055 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.514 HG22 HD22 ' A' ' 229' ' ' ASN . 70.0 p -92.24 157.2 16.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 2.36 111.041 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.4 OUTLIER -79.31 142.54 36.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.112 -0.495 . . . . 3.46 110.869 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 108.26 -15.33 36.1 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.9 -0.666 . . . . 2.2 111.92 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 166' ' ' ILE . 35.8 mmtp -87.86 177.23 7.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 3.33 111.017 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.7 p -150.72 162.8 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.27 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -158.9 137.24 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 1.89 111.088 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.59 143.93 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 3.74 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -138.16 155.9 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 4.47 111.057 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 55' ' ' THR . 6.0 t -133.97 167.21 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 4.59 110.893 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.54 56.56 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 6.35 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -95.85 109.28 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 4.67 110.46 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -145.71 81.87 9.77 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 3.92 111.297 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -77.62 -29.71 4.42 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.547 2.164 . . . . 4.59 112.3 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . 0.511 ' HD3' HD12 ' A' ' 184' ' ' LEU . 30.5 mmt180 -82.24 -6.95 59.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 8.64 110.635 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.36 -22.61 45.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.829 -0.7 . . . . 3.43 112.727 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 183' ' ' LEU . 3.8 mm? -97.98 -16.16 19.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.709 0.29 . . . . 5.71 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.511 HD12 ' HD3' ' A' ' 181' ' ' ARG . 39.3 mt -97.41 137.26 21.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.325 -0.398 . . . . 4.53 111.076 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 148.35 29.75 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.469 2.112 . . . . 3.71 112.281 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.89 -8.65 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 6.38 111.013 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 40.3 t -95.35 101.21 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.07 110.81 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.0 pp -163.81 158.44 20.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 4.32 111.204 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.99 177.38 4.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 3.78 110.558 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 211' ' ' LEU . 43.3 p90 -169.84 145.76 3.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.847 0.355 . . . . 3.36 111.123 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -88.91 161.96 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.563 -0.532 . . . . 4.16 109.563 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.699 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -137.88 132.04 31.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 1.5 111.907 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.24 74.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.63 . . . . 2.91 110.146 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.647 ' HA ' ' H ' ' A' ' 208' ' ' TRP . 71.4 Cg_exo -49.79 142.02 26.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.858 2.372 . . . . 1.48 112.866 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . 0.538 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -90.42 14.12 63.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.83 -0.7 . . . . 1.64 112.155 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 110.378 -0.23 . . . . 2.75 110.378 179.798 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.793 0.33 . . . . 5.02 110.645 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.32 21.74 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 3.98 110.913 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 26.0 p -114.46 20.9 15.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 2.48 110.87 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 10.6 t -127.37 110.43 22.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.442 . . . . 1.8 111.267 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.538 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 8.9 t -113.02 147.49 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 1.27 110.564 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . 0.647 ' H ' ' HA ' ' A' ' 194' ' ' PRO . 16.5 t-105 -111.08 108.21 17.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 2.43 111.029 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.479 ' HB ' HD12 ' A' ' 143' ' ' LEU . 6.8 mm -105.89 153.19 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.634 . . . . 1.45 110.506 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 15.9 m -142.18 131.44 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.954 0.407 . . . . 2.12 111.479 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 190' ' ' TYR . 13.3 mt -85.61 158.43 20.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 3.85 110.935 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -88.51 -38.33 15.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 5.85 111.225 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -118.96 83.0 22.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 5.91 111.001 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.25 171.13 17.51 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.557 2.171 . . . . 3.58 112.352 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 16.5 tt -75.84 141.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 4.42 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 72.6 p -101.87 127.93 48.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.502 . . . . 3.53 111.069 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 12.5 p -109.4 143.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 2.45 110.864 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.4 t -77.59 148.14 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 3.39 111.083 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.4 p -66.45 -14.52 62.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 2.82 110.609 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -86.1 -24.98 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 4.51 110.783 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . 0.546 HE21 ' HB2' ' A' ' 153' ' ' LYS . 79.1 mm-40 -69.79 -32.56 71.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.191 -0.459 . . . . 3.92 111.462 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.45 ' HA ' ' HD1' ' A' ' 225' ' ' PHE . 34.6 m -74.19 -8.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 2.44 111.05 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.81 -24.62 48.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.8 110.647 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 160' ' ' VAL . 3.2 mptp? -76.56 -33.6 58.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 3.78 110.717 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . 0.45 ' HD1' ' HA ' ' A' ' 222' ' ' VAL . 96.9 m-85 -69.28 -24.0 63.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 3.33 111.03 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 81.8 mtp180 -70.61 -18.28 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 4.82 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -71.37 -18.0 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 3.25 110.97 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.481 ' HG ' ' HA ' ' A' ' 167' ' ' LYS . 7.9 mp -78.99 162.03 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 2.93 110.929 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . 0.514 HD22 HG22 ' A' ' 168' ' ' THR . 95.0 m-20 -90.4 179.23 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 2.92 111.491 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -91.54 -9.64 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 5.3 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 169' ' ' LYS . 7.3 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.79 0.329 . . . . 4.3 111.109 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.37 . . . . 5.11 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.522 ' HG3' HG22 ' A' ' 241' ' ' VAL . 25.4 ptp -61.36 -34.82 75.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 5.21 110.619 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 240' ' ' MET . 27.8 m -145.54 175.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.637 -0.71 . . . . 3.44 111.033 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -135.7 -167.99 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 3.67 110.535 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -131.28 53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 3.74 111.073 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . 0.5 ' HB2' ' H ' ' A' ' 100' ' ' LEU . 67.4 t-105 -121.89 115.91 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 3.25 110.985 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.595 ' HA ' ' HE ' ' A' ' 245' ' ' ARG . 1.6 mmp_? -135.68 150.38 71.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 3.78 110.591 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.582 ' HB2' ' HG2' ' A' ' 30' ' ' PRO . 34.8 Cg_exo -57.62 164.82 6.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.523 2.148 . . . . 2.43 112.239 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.38 38.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 3.18 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.21 120.96 66.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 5.35 110.462 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 251' ' ' LYS . 31.8 Cg_exo -58.43 123.89 14.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.252 1.968 . . . . 4.02 112.116 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 18.7 tp -79.8 -8.78 59.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 3.94 110.559 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 249' ' ' PRO . 44.6 mmtm 58.59 17.49 5.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 6.83 111.047 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.17 150.02 48.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.29 -0.414 . . . . 5.02 110.488 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 253' ' ' ARG . 5.9 mpt_? -111.16 2.92 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 5.82 111.554 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.01 117.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 3.22 111.206 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 5.7 tp -116.61 124.39 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 2.02 110.861 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.41 141.05 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 2.91 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.699 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.5 170.94 15.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 1.46 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 192' ' ' THR . 29.8 t -102.28 -2.06 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 2.32 110.255 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.41 ' C ' ' HB3' ' A' ' 40' ' ' TYR . 73.1 t80 -111.77 148.23 33.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 3.3 110.595 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.037 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.513 0.197 . . . . 3.57 111.147 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.97 132.78 51.59 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.661 2.241 . . . . 2.88 112.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 249' ' ' PRO . 75.7 t -141.41 152.43 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 2.26 110.699 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 3.2 m-20 -76.41 98.49 4.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.349 . . . . 2.44 110.442 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 255' ' ' ILE . 2.7 mp -91.06 147.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.338 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 37' ' ' THR . 9.0 m-20 -109.95 129.36 55.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 1.51 111.076 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -72.81 -17.8 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 1.95 110.734 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -74.17 -40.95 62.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.798 -0.637 . . . . 3.43 111.061 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 34' ' ' ASP . 14.9 t -75.23 -5.37 44.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 1.73 111.033 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 157.63 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 1.29 111.221 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -122.66 149.64 43.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 3.53 110.644 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 260' ' ' LYS . 10.2 p90 -81.03 114.21 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 4.17 111.217 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.16 90.92 45.89 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 3.04 110.836 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.02 53.7 4.69 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.55 2.167 . . . . 2.3 112.626 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -87.22 -41.95 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 3.07 110.683 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.7 mm? -91.57 94.23 9.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 3.08 110.621 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.9 147.68 33.78 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 4.28 111.024 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 125.78 9.37 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.266 1.978 . . . . 2.41 111.778 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 tp -124.28 -62.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 5.24 110.946 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.503 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 55.1 m -135.82 139.82 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 2.67 111.061 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.75 124.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 2.44 111.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 m -113.37 142.65 45.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 2.58 110.814 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -177.7 37.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 4.87 111.002 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -92.64 -43.94 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 4.17 110.819 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -89.68 -4.85 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 4.62 110.755 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.08 120.66 5.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.277 -0.42 . . . . 1.97 110.791 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.578 HG23 ' H ' ' A' ' 178' ' ' PHE . 85.7 m -157.5 145.44 18.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 1.9 111.68 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -92.64 150.79 20.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.85 -0.614 . . . . 1.87 110.157 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 tp -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 3.58 111.794 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' ILE . 42.1 ttp180 -159.5 157.69 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.421 . . . . 4.62 111.754 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 14.2 tt -131.01 126.75 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.782 -0.644 . . . . 1.72 110.418 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 172' ' ' SER . 43.3 tp -112.87 148.12 35.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 2.58 111.01 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -109.05 155.1 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.94 110.776 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.56 23.89 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.739 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 78.28 14.63 82.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.453 -0.88 . . . . 2.64 112.608 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -178.77 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 4.34 110.752 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.68 125.3 50.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 2.12 110.621 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HD2' HD11 ' A' ' 59' ' ' ILE . 45.7 p90 -123.21 139.66 53.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.733 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -131.67 152.47 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.782 -0.645 . . . . 2.57 109.786 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -92.17 138.02 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.616 0.246 . . . . 1.95 110.987 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 9.9 pt-20 -119.14 143.75 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 3.84 111.453 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.85 172.21 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 4.12 110.882 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 20.9 t70 -59.99 120.57 9.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 3.04 110.753 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.31 -14.96 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 3.88 110.945 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.3 t -71.51 -11.45 60.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 3.2 111.146 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -154.66 153.69 31.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.313 -0.403 . . . . 4.06 110.817 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.09 118.58 18.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 2.84 110.857 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 70.7 mmtt -91.09 -82.4 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.26 111.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -115.21 123.35 48.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 1.42 111.71 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.36 165.04 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 1.72 110.658 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 5.4 mp -129.91 155.72 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 2.3 110.822 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 62.7 mttp -145.69 143.39 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.702 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.637 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . -99.02 -176.24 31.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.678 -0.772 . . . . 2.5 112.564 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.69 -87.54 0.34 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.607 -0.806 . . . . 2.63 112.75 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.25 -60.47 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.6 2.2 . . . . 4.13 112.686 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 ' HA3' ' A' ' 81' ' ' GLY . 2.0 pt? -63.65 145.85 54.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 3.0 110.951 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.57 13.14 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 5.04 110.593 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.77 132.12 21.84 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.836 -0.697 . . . . 1.92 112.49 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.8 m -108.73 126.43 52.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 1.68 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 83.0 m-85 -86.43 122.73 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 3.43 110.625 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -96.15 153.49 17.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 3.79 110.716 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.9 tt -118.78 128.93 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.929 -0.397 . . . . 2.52 109.929 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -119.5 -69.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.193 0.442 . . . . 2.47 112.193 -179.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.604 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 15.7 mt-30 -139.43 162.96 33.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.83 0.348 . . . . 2.41 111.617 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -155.05 161.64 41.27 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.188 -0.46 . . . . 1.57 110.837 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.482 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.2 p-80 -147.58 168.27 22.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 1.29 110.49 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 118' ' ' LEU . 13.2 p90 -117.13 147.92 42.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.901 0.382 . . . . 3.19 111.875 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -107.28 165.91 11.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.966 -0.561 . . . . 1.68 110.929 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -147.59 167.29 24.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.29 -0.414 . . . . 5.75 111.107 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.2 156.06 22.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.579 . . . . 3.04 112.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 -18.76 60.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 4.29 111.031 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -96.7 153.31 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 5.2 110.973 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.91 29.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 5.33 110.734 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.47 -46.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.855 -0.688 . . . . 4.18 112.525 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -166.65 157.79 12.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 4.67 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.86 71.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.488 -0.863 . . . . 1.95 113.089 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -126.28 -82.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 2.04 110.802 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 46.3 mt-10 -151.09 -88.28 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.384 -0.371 . . . . 2.64 111.42 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.46 171.89 8.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 2.11 111.356 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 86.8 m -139.56 91.33 2.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 1.88 110.728 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.52 147.81 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 2.24 111.024 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.8 37.66 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 2.18 110.816 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 59.2 24.87 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.931 0.396 . . . . 3.37 111.079 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 108' ' ' THR . 32.6 mmmt -136.15 123.36 21.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 3.86 110.831 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -83.98 144.58 29.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 2.57 110.995 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -70.39 140.93 52.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 2.18 110.529 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.62 -28.84 22.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 1.72 110.773 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.28 136.61 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 1.55 110.114 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -152.45 138.57 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 2.4 111.265 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 HD21 ' A' ' 147' ' ' LEU . 4.4 pp -87.18 147.9 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 2.07 111.289 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -101.38 121.56 42.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.907 -0.588 . . . . 1.71 110.958 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 90.9 mt -102.37 116.57 32.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 2.51 110.879 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.46 121.92 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 1.83 110.824 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -131.64 154.68 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 2.43 110.507 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -165.11 118.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 3.95 110.958 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -55.54 133.4 50.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 2.19 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.2 t -82.1 -14.76 55.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.77 111.434 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 7.6 mtpm? -59.42 -24.83 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 3.65 111.176 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -81.04 -26.78 36.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 4.38 111.246 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.97 -44.78 3.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.643 -0.789 . . . . 2.22 112.614 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.05 149.63 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 3.07 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -63.5 -19.35 64.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 3.08 111.038 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.75 -43.44 96.24 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.592 -0.813 . . . . 2.36 112.402 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.19 -19.82 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 3.63 110.743 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.31 -51.51 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 1.73 110.603 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.31 -7.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 2.3 111.498 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.19 -15.72 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 3.84 110.695 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.676 HE21 ' HB2' ' A' ' 138' ' ' ASP . 20.6 pt20 -140.27 156.03 70.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 3.22 110.713 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.18 -16.95 57.69 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.79 2.327 . . . . 2.44 112.867 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.676 ' HB2' HE21 ' A' ' 136' ' ' GLN . 9.1 m-20 -95.29 10.85 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.704 0.288 . . . . 2.64 111.073 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.01 -76.04 0.2 Allowed Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.949 -0.643 . . . . 1.49 112.723 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -128.1 155.82 43.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.69 0.281 . . . . 1.76 110.873 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.14 34.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.98 111.509 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.3 t -127.32 107.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.258 -0.428 . . . . 1.3 110.979 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.586 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 10.4 mp -86.13 144.27 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 2.1 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.2 123.5 4.22 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.694 -0.765 . . . . 1.4 112.843 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.2 mt -110.86 136.15 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.694 0.283 . . . . 1.53 110.735 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.623 ' H ' ' HG2' ' A' ' 214' ' ' PRO . 40.8 t80 -76.4 145.09 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.431 -0.35 . . . . 4.48 110.986 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 118' ' ' LEU . 89.0 mt -132.82 124.16 27.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 3.25 110.891 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' ' 215' ' ' ILE . 28.1 ttpp -146.43 144.47 29.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.786 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.61 121.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 3.13 111.187 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.83 -94.62 0.48 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.81 -0.71 . . . . 3.15 112.403 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.4 p -93.02 171.54 8.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 3.85 110.892 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -70.48 -164.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 3.82 111.198 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -72.73 113.12 18.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 5.19 111.066 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.25 -17.18 17.09 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.29 1.993 . . . . 3.09 112.083 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.93 59.07 0.01 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.829 -0.701 . . . . 2.71 112.726 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.86 34.43 5.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 3.94 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 160' ' ' VAL . 45.9 mt-30 -55.78 -36.71 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 3.55 111.065 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 158' ' ' LYS . 1.0 OUTLIER -68.45 -24.31 64.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 4.82 111.074 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.8 -36.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 3.12 111.307 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.506 ' HA ' HD22 ' A' ' 163' ' ' LEU . 28.3 m -80.89 -18.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.14 111.05 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.38 -37.24 20.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 3.01 111.071 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.81 -44.05 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 2.46 111.907 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 228' ' ' LEU . 0.2 OUTLIER -75.17 -21.06 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.31 110.763 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.456 ' N ' HD23 ' A' ' 163' ' ' LEU . 13.9 t70 -58.81 -17.61 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.919 -0.582 . . . . 2.42 109.867 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 56.3 m -94.13 -29.71 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 1.85 110.895 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.586 HG12 ' HA ' ' A' ' 163' ' ' LEU . 0.3 OUTLIER -91.63 50.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 2.44 110.816 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.73 -40.28 62.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.044 -0.525 . . . . 3.75 110.599 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.9 p -114.98 137.71 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.675 -0.693 . . . . 2.36 110.66 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 63' ' ' GLY . 1.2 mptm? -60.48 147.77 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 3.46 111.094 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.3 -6.8 26.76 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.668 -0.696 . . . . 2.2 112.134 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.475 ' HB2' HG23 ' A' ' 166' ' ' ILE . 99.7 mttt -109.19 177.14 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 3.33 110.93 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.512 ' HB3' HD12 ' A' ' 60' ' ' LEU . 67.7 p -151.32 168.71 23.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 2.27 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -161.39 142.73 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.89 110.819 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.56 136.39 33.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 3.74 111.219 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -149.31 142.21 24.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 4.47 110.45 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.1 t -129.41 176.69 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.36 -0.382 . . . . 4.59 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 60.37 56.79 3.07 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.929 0.395 . . . . 6.35 110.869 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . 0.578 ' H ' HG23 ' A' ' 55' ' ' THR . 73.4 t80 -81.84 147.48 29.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 4.67 110.836 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.76 113.67 23.48 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 3.92 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.08 -21.22 12.31 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.337 2.025 . . . . 4.59 112.207 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 74.7 mtp180 -71.77 -11.23 60.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.652 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -58.81 -29.33 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 3.43 112.261 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.2 pp -117.07 12.08 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 5.71 111.128 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 41.6 tp -57.82 119.23 32.03 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.224 -0.444 . . . . 4.53 111.02 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 184' ' ' LEU . 48.6 Cg_endo -68.88 131.14 21.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.187 1.925 . . . . 3.71 111.964 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.5 -24.13 39.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 6.38 111.291 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 46.7 t -142.49 166.93 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.352 . . . . 5.07 111.019 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 93.1 mt -107.64 31.52 5.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.32 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 212' ' ' LYS . 5.3 m-20 -136.13 147.76 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 3.78 110.242 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -170.0 171.66 6.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 3.36 111.225 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.458 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -107.41 174.42 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 4.16 109.969 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.9 t -151.62 137.03 17.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.13 0.419 . . . . 1.5 112.13 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -132.4 78.64 67.47 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 2.91 110.306 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 130.08 34.86 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.794 2.329 . . . . 1.48 112.731 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 204' ' ' GLU . . . -127.31 -172.72 13.31 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.899 -0.667 . . . . 1.64 112.334 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.333 -0.141 0 CA-C-O 120.532 0.206 . . . . 2.75 110.838 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 204' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.895 0.379 . . . . 5.02 111.079 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . 0.429 ' N ' HD23 ' A' ' 203' ' ' LEU . 11.6 pt-20 -84.01 30.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.213 0.53 . . . . 3.98 109.922 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 49.6 t -57.22 -17.66 12.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 2.48 111.555 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.48 136.04 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 1.8 111.412 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 54.9 m -113.16 146.17 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.284 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -113.71 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 2.43 110.706 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.586 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 4.4 mp -114.22 135.71 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 1.45 110.729 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.99 117.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 2.12 111.036 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.5 ' HB2' ' HG3' ' A' ' 214' ' ' PRO . 7.8 mp -62.78 171.42 2.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.244 -0.434 . . . . 3.85 110.744 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 61.8 mtpt -58.64 -55.59 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 5.85 111.194 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.85 70.9 1.26 Allowed Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.294 -0.412 . . . . 5.91 111.307 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . 0.623 ' HG2' ' H ' ' A' ' 146' ' ' PHE . 90.0 Cg_endo -83.07 152.29 14.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.713 2.275 . . . . 3.58 112.481 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . 0.427 HD12 ' HE3' ' A' ' 148' ' ' LYS . 6.0 tt -162.85 111.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 4.42 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 41.4 m -137.55 102.22 4.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.349 -0.387 . . . . 3.53 111.081 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.71 137.67 15.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.342 -0.39 . . . . 2.45 110.877 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 222' ' ' VAL . 35.9 m -115.49 151.09 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 3.39 110.697 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.6 m -72.77 -13.45 61.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 2.82 111.095 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -83.2 -45.01 14.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 4.51 111.276 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -66.04 -25.33 67.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 3.92 110.498 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 218' ' ' SER . 77.3 t -83.22 -30.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 2.44 110.72 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.59 -43.56 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 2.8 110.454 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.06 -17.29 37.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 3.78 110.743 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.11 -35.69 79.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 3.33 110.542 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.09 -30.44 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 4.82 110.795 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.39 -23.83 62.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 3.25 111.035 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 163' ' ' LEU . 91.4 mt -81.7 162.16 23.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 2.93 111.316 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -130.32 158.49 39.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.966 -0.561 . . . . 2.92 110.962 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -54.32 -47.4 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 5.3 110.652 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 4.3 110.81 179.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 241' ' ' VAL . 75.0 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 5.11 110.741 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.95 -12.64 56.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 5.21 111.04 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 239' ' ' LEU . 34.1 m -86.05 -171.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 3.44 111.086 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.4 t70 71.61 44.48 0.51 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.141 0.496 . . . . 3.67 110.365 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -134.52 55.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 3.74 111.098 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -101.97 172.91 6.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 3.25 111.144 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.446 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 98.0 mtt180 -133.23 107.42 12.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 3.78 110.73 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.84 147.78 13.7 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.647 2.232 . . . . 2.43 112.774 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -130.46 136.07 48.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.984 -0.553 . . . . 3.18 110.997 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -137.79 133.6 17.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 5.35 110.819 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 31' ' ' VAL . 83.9 Cg_endo -81.48 124.89 4.85 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.514 2.143 . . . . 4.02 112.634 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.2 mm? -78.61 -48.89 14.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 3.94 110.455 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -143.36 -64.38 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 6.83 110.538 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -175.64 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 5.02 110.255 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 62.55 149.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 5.82 111.71 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -102.15 135.31 43.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 3.22 110.548 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 33' ' ' ILE . 6.5 tt -112.04 116.01 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 2.02 111.702 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.16 163.48 22.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.325 -0.62 . . . . 2.91 109.325 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.55 146.25 8.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.472 -0.491 . . . . 1.46 112.164 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.2 t -74.52 -19.11 60.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.566 -0.743 . . . . 2.32 109.246 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 90.6 t80 -111.73 141.0 45.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.205 -0.907 . . . . 3.3 110.134 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 93.9 mttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.124 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.705 0.288 . . . . 3.57 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 127.79 16.0 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.561 2.174 . . . . 2.88 112.452 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -144.34 145.88 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 2.26 111.354 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.455 ' N ' ' HB1' ' A' ' 247' ' ' ALA . 27.1 m-20 -61.7 115.04 3.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.515 . . . . 2.44 110.66 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 6.9 mm -50.13 128.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 1.53 111.382 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.51 111.156 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.6 m -80.31 -40.5 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.626 . . . . 1.95 110.922 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.48 -35.23 80.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 3.43 111.016 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 m -75.54 -22.7 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 1.73 110.814 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.59 155.83 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 1.29 111.034 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -123.9 142.34 51.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 3.53 111.084 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -66.5 133.6 50.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 4.17 110.818 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 258' ' ' SER . 16.7 t70 -125.68 90.98 49.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 3.04 111.113 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.24 20.86 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.668 2.246 . . . . 2.3 112.443 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -62.18 -45.7 92.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 3.07 111.073 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' A' ' 82' ' ' GLY . 3.2 mm? -80.34 151.94 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 3.08 110.847 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -108.28 141.43 23.2 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.345 -0.389 . . . . 4.28 110.839 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.67 125.62 18.84 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.27 1.98 . . . . 2.41 111.853 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.537 ' HB2' ' HA2' ' A' ' 81' ' ' GLY . 5.5 tp -130.87 -168.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 5.24 111.056 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.548 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 56.8 m -64.5 151.7 43.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 2.67 111.494 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.98 116.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 2.44 111.182 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m -113.7 146.01 40.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 2.58 110.813 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -174.32 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 4.87 111.194 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -64.35 -15.96 61.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 4.17 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -95.89 -10.9 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 4.62 111.06 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -54.64 126.31 23.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 1.97 111.521 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 m -112.63 139.35 48.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.9 111.163 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -95.94 162.46 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 1.87 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.2 tp -111.86 -38.83 4.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 3.58 111.428 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -172.98 156.64 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 4.62 110.904 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 68' ' ' VAL . 71.5 mt -132.66 112.01 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 1.72 110.665 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 tp -112.91 140.56 47.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 2.58 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.4 m-20 -112.46 149.03 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.896 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -106.62 21.65 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 3.13 110.635 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.82 -25.6 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.835 -0.697 . . . . 2.64 112.401 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -112.79 -57.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 4.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.14 153.55 49.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 2.12 110.77 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 47.6 p90 -137.28 164.11 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 3.39 111.398 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -133.06 152.57 51.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.809 -0.632 . . . . 2.57 110.742 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -108.08 107.12 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 1.95 110.866 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.38 140.79 29.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 3.84 111.403 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -116.63 177.37 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 4.12 110.404 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.38 134.98 39.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 3.04 110.827 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -101.33 -24.43 14.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.209 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -70.07 -15.7 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 3.2 111.038 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -157.12 145.99 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 4.06 111.013 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.35 94.31 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.84 110.653 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 44.4 mmtm -58.22 -62.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 3.26 111.347 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . . . -90.78 142.7 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 1.42 111.307 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 50' ' ' SER . 18.4 m -143.67 159.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 1.72 110.855 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 94.3 mt -131.69 117.89 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 2.3 111.105 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 90.8 mttt -131.49 153.6 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 2.67 110.519 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.537 ' HA2' ' HB2' ' A' ' 47' ' ' LEU . . . 160.89 112.18 0.29 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.788 . . . . 2.5 112.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 44' ' ' LEU . . . 122.44 175.72 14.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.636 -0.792 . . . . 2.63 112.462 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.77 -6.34 18.48 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.4 2.067 . . . . 4.13 112.014 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.28 156.56 15.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.873 -0.603 . . . . 3.0 111.099 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.7 22.51 15.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 5.04 110.605 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.78 149.72 17.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.909 -0.662 . . . . 1.92 112.503 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.415 ' OG1' ' HE2' ' A' ' 80' ' ' LYS . 97.9 m -126.15 133.15 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 1.68 111.285 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 84.2 m-85 -87.05 125.56 34.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 3.43 110.502 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -102.5 147.64 26.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 3.79 111.234 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.3 mp -97.95 139.08 34.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 2.52 110.682 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -118.28 -59.05 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 2.47 111.762 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' H ' HG12 ' A' ' 91' ' ' ILE . 23.1 pt20 -159.35 160.0 34.52 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.871 0.322 . . . . 2.41 111.871 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 30.7 p90 -137.19 160.01 40.24 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.122 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.44 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 13.2 p-80 -132.42 167.9 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 1.29 111.723 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -117.85 145.56 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 3.19 110.379 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -96.83 129.4 44.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 1.68 111.243 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -134.08 -177.2 4.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.87 -0.605 . . . . 5.75 110.453 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.17 162.02 29.91 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.616 -0.802 . . . . 3.04 112.614 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.1 t -107.79 8.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 4.29 110.771 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' HB2' ' CG ' ' A' ' 242' ' ' ASP . 11.3 mt -113.93 159.92 19.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.934 -0.575 . . . . 5.2 110.452 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.76 105.98 15.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 5.33 111.088 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.12 -69.88 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.894 -0.669 . . . . 4.18 112.056 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.48 HE21 ' HB2' ' A' ' 244' ' ' TRP . 25.4 mt-30 -147.91 174.77 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 4.67 110.901 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.33 -78.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.773 . . . . 1.95 112.26 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.0 p -106.92 -170.16 1.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 2.04 110.964 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 244' ' ' TRP . 35.7 tt0 -86.63 -73.2 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 2.64 110.752 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -94.89 168.16 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.11 110.366 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 113' ' ' LYS . 77.3 p -135.7 123.94 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 1.88 111.596 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 30.9 m -96.99 141.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 2.24 110.523 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 54.91 34.87 23.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.397 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 60.29 25.25 14.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.574 . . . . 3.37 111.397 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -116.56 129.66 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 3.86 110.935 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 108' ' ' THR . 39.0 ttmt -97.6 155.5 16.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 2.57 111.075 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.467 ' CD1' ' HB2' ' A' ' 148' ' ' LYS . 31.4 m-85 -118.64 173.91 6.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 2.18 110.735 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.94 -47.13 9.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.72 111.289 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.97 171.46 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 1.55 110.41 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.85 131.12 12.01 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 2.4 112.086 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 145' ' ' ILE . 3.9 pp -90.83 148.05 22.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.144 -0.48 . . . . 2.07 109.951 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.44 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -110.7 106.85 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 1.71 111.675 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 143' ' ' LEU . 50.1 tp -89.67 107.99 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 2.51 110.337 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.34 113.09 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 1.83 111.563 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.517 ' HE2' ' HB2' ' A' ' 143' ' ' LEU . 34.8 p80 -131.88 155.02 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 2.43 110.172 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -162.32 141.48 9.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 3.95 111.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LYS . 50.0 t30 -61.34 121.46 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.701 -0.681 . . . . 2.19 110.896 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -80.01 -14.84 58.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 1.77 111.457 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 124' ' ' ASN . 74.9 mmtt -59.16 -18.89 40.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 3.65 110.783 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 64.4 m-85 -79.21 7.5 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 4.38 110.948 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.35 -72.74 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.844 -0.693 . . . . 2.22 112.529 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -136.33 171.89 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 3.07 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -59.95 -22.77 62.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 3.08 110.991 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.46 -53.8 39.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.853 -0.689 . . . . 2.36 112.672 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 127' ' ' TYR . 23.8 tptm -73.36 -20.66 60.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.63 110.808 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.89 -48.12 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.73 111.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.462 HG23 HE21 ' A' ' 135' ' ' GLN . 28.0 m -66.64 -2.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 2.3 111.713 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.462 HE21 HG23 ' A' ' 134' ' ' VAL . 29.0 mm-40 -72.48 -15.14 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 3.84 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.89 144.5 53.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 3.22 110.646 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.91 -11.15 30.07 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 2.44 111.95 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -111.85 -4.82 14.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 2.64 111.012 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.79 28.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 1.49 112.422 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 132.54 54.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 1.76 110.392 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 144.31 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.98 111.108 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.79 108.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 1.3 111.043 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 9.6 tt -88.13 117.63 27.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 2.1 110.881 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 127.46 8.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.858 -0.686 . . . . 1.4 112.39 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.528 HD12 HD11 ' A' ' 118' ' ' LEU . 62.5 mt -107.02 132.42 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 1.53 110.947 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -85.79 165.69 16.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 4.48 110.867 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.9 mt -140.07 121.08 14.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.983 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 114' ' ' TYR . 88.1 tttt -127.93 153.76 46.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 4.32 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -87.63 152.3 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 3.13 110.629 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 218' ' ' SER . . . 144.88 -179.4 22.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.662 -0.78 . . . . 3.15 112.141 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 m 58.44 84.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.819 0.343 . . . . 3.85 110.334 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 3.82 111.942 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.43 117.53 21.0 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.752 -0.658 . . . . 5.19 111.264 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.22 -18.18 14.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.383 2.055 . . . . 3.09 112.117 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.13 59.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.911 -0.662 . . . . 2.71 112.488 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 159' ' ' VAL . 95.4 mt -135.63 35.53 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 3.94 110.761 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -53.56 -61.86 2.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.839 -0.619 . . . . 3.55 111.326 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.42 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.619 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 156' ' ' LEU . 85.7 t -55.72 -45.72 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.379 . . . . 3.12 111.391 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.426 ' O ' HD22 ' A' ' 163' ' ' LEU . 16.5 m -85.12 -14.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 3.14 111.264 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.8 -19.15 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 111.005 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.97 -17.34 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 2.46 111.814 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 160' ' ' VAL . 1.8 pt? -58.35 -22.3 52.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.741 0.305 . . . . 2.31 111.414 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -55.78 -12.55 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 2.42 110.797 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -12.13 35.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 1.85 110.875 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.2 mp -127.62 50.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.609 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 167' ' ' LYS . 6.9 ttpm? -53.34 -47.74 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 3.75 111.121 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 41.1 p -84.78 160.57 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.413 . . . . 2.36 111.022 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 1.5 tmmt? -80.43 107.56 13.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 3.46 110.863 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.52 8.97 24.14 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.594 -0.812 . . . . 2.2 113.31 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.401 ' HB3' HG23 ' A' ' 166' ' ' ILE . 23.7 ttmm -84.48 156.54 21.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.883 0.342 . . . . 3.33 110.765 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 94.3 p -97.69 165.95 11.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 2.27 110.804 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.66 37.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 1.89 111.254 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.89 157.74 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.968 -0.56 . . . . 3.74 110.865 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -48.34 135.71 13.37 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.045 -0.525 . . . . 4.47 111.175 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.3 t -162.61 -172.4 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 4.59 110.824 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 57.33 49.41 13.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.972 0.415 . . . . 6.35 110.705 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -92.0 136.92 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 4.67 110.945 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.14 90.92 25.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 3.92 111.023 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.19 -47.48 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.361 2.041 . . . . 4.59 112.252 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.99 -18.09 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 8.64 110.698 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -78.97 26.35 2.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 3.43 112.475 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.98 9.33 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 5.71 111.032 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.2 127.23 90.7 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 4.53 110.757 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.95 131.78 46.29 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.382 2.055 . . . . 3.71 112.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.61 -16.34 54.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 6.38 111.178 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 37.6 t 60.71 175.24 0.1 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.203 -0.453 . . . . 5.07 110.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.14 110.07 22.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.472 -0.331 . . . . 4.32 110.658 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.9 p30 176.89 118.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.905 -0.589 . . . . 3.78 110.264 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 210' ' ' VAL . 45.4 p90 -169.86 161.8 9.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.756 0.313 . . . . 3.36 110.813 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.749 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.5 m-90 -105.37 122.53 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 4.16 110.112 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.458 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -127.54 171.24 11.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 1.5 111.599 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -159.35 130.21 3.73 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 2.91 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.558 ' HA ' HG23 ' A' ' 207' ' ' THR . 73.9 Cg_exo -50.45 127.73 21.27 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.47 2.113 . . . . 1.48 112.491 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . 0.465 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -116.19 37.96 3.22 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.742 -0.742 . . . . 1.64 112.964 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 110.553 -0.166 . . . . 2.75 110.553 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 203' ' ' LEU . 2.3 pt? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.05 0.453 . . . . 5.02 111.183 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -124.93 20.96 8.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 3.98 110.36 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 80.0 m -100.55 29.39 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 2.48 110.58 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.74 112.46 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.783 -0.644 . . . . 1.8 110.88 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.6 m -112.49 145.33 40.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.45 -0.341 . . . . 1.27 110.796 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -95.74 108.35 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 2.43 110.702 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.63 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.9 mp -108.77 142.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.45 110.944 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 26.2 t -138.03 116.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 2.12 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.86 155.7 15.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.382 -0.372 . . . . 3.85 110.71 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -48.06 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 5.85 110.677 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.99 88.76 8.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 5.91 110.814 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.92 153.93 71.79 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.516 2.144 . . . . 3.58 112.515 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.07 142.56 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 4.42 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -136.75 155.3 50.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 3.53 111.519 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.36 169.39 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.818 -0.628 . . . . 2.45 110.771 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 46.9 t -107.09 154.14 21.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.5 -0.318 . . . . 3.39 110.854 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 54.2 m -55.61 -22.0 20.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 2.82 110.818 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -85.5 -32.81 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 4.51 110.604 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.55 -32.43 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 3.92 110.419 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.93 -26.75 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.614 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.596 HD12 ' HD3' ' A' ' 226' ' ' ARG . 48.0 tp -56.28 -34.46 66.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 2.8 110.477 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.87 -28.92 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 3.78 110.381 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.58 -25.9 62.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 3.33 110.707 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.596 ' HD3' HD12 ' A' ' 223' ' ' LEU . 42.6 mtp180 -60.35 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 4.82 110.486 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.69 -26.15 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 3.25 110.409 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.84 162.19 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 2.93 110.789 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -131.9 156.94 45.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 2.92 111.204 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.418 ' HB2' ' HG2' ' A' ' 240' ' ' MET . 41.1 t80 -97.93 3.36 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.76 -0.655 . . . . 5.3 110.598 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' ' 169' ' ' LYS . 8.5 p30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 4.3 111.373 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.649 0.261 . . . . 5.11 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.418 ' HG2' ' HB2' ' A' ' 230' ' ' PHE . 54.7 mtt -127.67 42.18 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 5.21 111.232 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 6.6 p -176.17 136.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.094 0.474 . . . . 3.44 111.641 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 100' ' ' LEU . 26.9 t70 -161.16 26.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 3.67 110.67 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -96.59 56.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 3.74 111.258 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 106' ' ' GLU . 65.6 p-90 -101.73 155.74 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.91 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -140.8 151.69 63.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 3.78 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.1 162.33 16.94 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.413 2.075 . . . . 2.43 111.802 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . 0.455 ' HB1' ' N ' ' A' ' 32' ' ' ASP . . . -163.05 41.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 3.18 111.118 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.82 133.16 93.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 5.35 110.99 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.12 123.93 6.4 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.359 2.039 . . . . 4.02 112.39 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.3 mm? -80.0 -48.83 12.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 3.94 110.788 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.95 -63.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 6.83 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -171.13 -54.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 5.02 110.885 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 63.15 168.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 5.82 111.108 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -124.08 124.28 42.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 3.22 111.284 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 27.2 mm -84.09 106.87 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 2.02 111.176 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 192' ' ' THR . 57.9 tptt -77.13 92.23 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 2.91 110.191 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.46 111.507 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 41' ' ' ASP . 48.0 t -90.23 -27.12 19.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.872 -0.604 . . . . 2.32 110.482 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -111.96 158.34 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.865 -0.607 . . . . 3.3 110.544 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.164 -0.922 . . . . 4.59 111.232 -179.797 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.363 0.125 . . . . 3.57 111.087 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.7 133.35 32.66 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.813 2.342 . . . . 2.88 112.141 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 250' ' ' LEU . 90.6 t -121.92 154.36 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.073 -0.512 . . . . 2.26 110.773 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -88.4 98.54 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 2.44 110.116 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 HG13 ' A' ' 255' ' ' ILE . 3.0 mp -78.6 136.49 23.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 1.53 111.146 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.604 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -110.55 129.21 55.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 1.51 110.889 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -80.28 -18.51 49.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 1.95 111.212 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -81.76 -38.68 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 3.43 111.674 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 34' ' ' ASP . 6.2 t -84.84 -17.22 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.703 0.287 . . . . 1.73 111.521 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 155.83 12.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.405 . . . . 1.29 111.226 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -124.13 132.87 53.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 3.53 110.69 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' HB3' ' N ' ' A' ' 260' ' ' LYS . 47.6 p90 -73.87 134.87 43.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 4.17 110.987 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.42 90.94 42.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 3.04 110.685 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.17 52.11 3.55 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.643 2.229 . . . . 2.3 112.69 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -68.97 -45.0 71.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 3.07 110.816 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.29 142.04 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 3.08 110.922 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -108.44 151.5 41.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 4.28 110.974 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 188' ' ' LEU . 35.5 Cg_endo -65.21 125.9 15.4 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.182 1.921 . . . . 2.41 111.359 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.11 -64.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 5.24 111.638 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -135.36 110.01 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 2.67 111.272 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 79' ' ' LEU . 49.1 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 2.44 110.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 m -110.91 143.68 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 2.58 110.801 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -173.23 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 4.87 110.68 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.98 -20.56 65.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 4.17 109.803 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -98.06 -13.61 20.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.649 -0.705 . . . . 4.62 110.296 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.39 161.38 7.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 1.97 111.13 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 m -128.14 136.27 50.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 1.9 111.142 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.3 p -87.15 175.44 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.759 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -111.64 -39.09 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 3.58 110.705 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -174.18 158.02 2.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 4.62 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.3 mt -131.46 103.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 1.72 110.769 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD13 ' OG ' ' A' ' 172' ' ' SER . 44.5 tp -113.76 149.9 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 2.58 110.597 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.548 HD21 HG21 ' A' ' 166' ' ' ILE . 15.4 m-80 -103.7 150.51 23.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 1.94 111.047 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -106.39 21.91 16.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.13 111.329 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.35 11.98 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.556 -0.831 . . . . 2.64 112.604 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -177.85 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.577 0.227 . . . . 4.34 111.432 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.04 179.23 4.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 2.12 111.197 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB2' ' HD1' ' A' ' 95' ' ' PHE . 62.1 m-85 -120.07 145.95 46.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 3.39 110.491 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.9 104.91 6.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.497 -0.32 . . . . 2.57 110.457 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.14 138.29 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 1.95 111.362 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -125.2 170.34 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 3.84 110.967 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -115.14 155.75 26.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 4.12 110.791 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.63 135.36 48.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 3.04 110.753 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.99 16.24 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 3.88 110.923 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.7 t -54.1 -39.35 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 3.2 110.895 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.409 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.3 tp-100 -166.91 -70.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.299 -0.409 . . . . 4.06 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 4.0 p30 -174.77 156.18 2.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 2.84 110.759 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 73.8 mmtt -145.13 -74.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 3.26 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.3 131.52 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.42 111.065 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.44 156.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.921 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 56.2 tp -128.4 134.17 48.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.342 . . . . 2.3 110.947 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -155.3 143.46 20.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 2.67 110.696 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.96 -176.38 33.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 2.5 112.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.01 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.811 -0.709 . . . . 2.63 112.744 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -10.22 28.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.403 2.069 . . . . 4.13 112.32 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.65 130.83 44.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.519 . . . . 3.0 110.809 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -111.47 58.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 5.04 110.538 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.71 108.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.895 -0.669 . . . . 1.92 112.404 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.1 p -80.95 156.14 26.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 1.68 111.309 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.624 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 89.4 m-85 -125.88 126.68 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 3.43 110.636 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 122' ' ' HIS . 80.5 mtm180 -103.3 129.26 50.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.587 -0.279 . . . . 3.79 110.875 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 mt -82.69 140.44 33.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.421 -0.354 . . . . 2.52 110.564 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' HA ' ' A' ' 122' ' ' HIS . 3.1 mm -103.82 -69.95 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.275 -0.421 . . . . 2.47 111.919 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -159.24 168.39 26.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.712 -0.222 . . . . 2.41 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 47.6 p90 -155.79 155.58 33.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.065 0.459 . . . . 1.57 111.731 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.4 p-80 -125.86 168.19 14.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.577 -0.738 . . . . 1.29 110.403 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' HD1' ' HB2' ' A' ' 66' ' ' PHE . 86.7 m-85 -114.71 146.56 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 3.19 111.974 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.521 ' ND1' ' HB3' ' A' ' 243' ' ' ASN . 15.3 m-70 -105.51 168.26 9.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.875 -0.602 . . . . 1.68 110.215 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.653 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 97.6 m95 -140.23 158.96 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 5.75 111.156 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.54 113.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.86 -0.609 . . . . 3.04 112.21 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.3 m -85.7 -22.39 27.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.689 0.28 . . . . 4.29 111.326 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HG ' ' H ' ' A' ' 102' ' ' GLY . 21.0 tp -88.2 140.38 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 5.2 110.981 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.36 1.32 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 5.33 110.665 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.564 ' H ' ' HG ' ' A' ' 100' ' ' LEU . . . -117.11 -9.48 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.907 -0.663 . . . . 4.18 112.323 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -138.98 147.63 42.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 4.67 110.781 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.39 -61.86 0.12 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.8 -0.714 . . . . 1.95 112.548 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 63.6 m -109.13 163.67 13.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.599 0.238 . . . . 2.04 110.965 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.99 -77.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.447 -0.342 . . . . 2.64 111.174 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.0 166.57 22.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 2.11 111.099 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 113' ' ' LYS . 67.1 p -142.33 108.76 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 1.88 111.09 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.4 HG22 ' HE2' ' A' ' 114' ' ' TYR . 26.8 m -87.53 150.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.833 0.349 . . . . 2.24 110.991 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 t70 53.53 32.25 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 2.18 110.776 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 60.56 25.5 15.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.981 -0.554 . . . . 3.37 111.512 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -124.65 138.41 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 3.86 111.225 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 108' ' ' THR . 4.3 ttmp? -100.77 154.37 18.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.071 -0.513 . . . . 2.57 110.627 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HE2' HG22 ' A' ' 109' ' ' VAL . 84.5 m-85 -110.02 156.45 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 2.18 111.02 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.06 -21.29 20.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 1.72 111.935 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.01 144.81 28.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 1.55 111.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.485 ' H ' ' HB2' ' A' ' 96' ' ' HIS . 32.9 tt0 -152.65 133.32 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 2.4 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 145' ' ' ILE . 4.2 pp -86.96 148.03 25.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 2.07 110.907 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -120.07 99.88 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 1.71 111.254 -179.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' LEU . 2.8 tt -99.9 116.88 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 2.51 110.492 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.92 109.89 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.83 110.721 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 91' ' ' ILE . 18.8 p80 -126.94 150.89 49.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 2.43 110.886 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -131.85 152.44 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 3.95 110.996 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.476 ' HB3' ' HG2' ' A' ' 126' ' ' LYS . 2.2 m-20 -58.71 149.67 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.543 . . . . 2.19 111.135 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -81.62 -15.03 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.758 -0.655 . . . . 1.77 111.336 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 124' ' ' ASN . 21.4 ptmt -67.41 -36.16 80.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.437 -0.347 . . . . 3.65 111.033 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.4 ' C ' ' H ' ' A' ' 129' ' ' ASP . 61.2 m-85 -79.62 -29.71 41.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.366 -0.379 . . . . 4.38 110.673 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.21 -18.16 1.26 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.962 -0.637 . . . . 2.22 113.366 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.5 m-20 -142.02 145.31 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 3.07 111.051 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -67.38 -21.89 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.63 . . . . 3.08 110.825 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.66 -41.49 74.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 2.36 112.138 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -81.39 -17.51 48.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.021 0.438 . . . . 3.63 110.291 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.403 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -77.48 -44.95 27.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 1.73 111.049 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -0.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 2.3 111.436 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.47 -27.29 62.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 3.84 110.982 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -122.92 151.83 61.78 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 3.22 111.024 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.34 -50.65 9.19 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.381 2.054 . . . . 2.44 111.786 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.64 1.41 34.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 2.64 110.824 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -48.97 -58.46 7.72 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.862 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.21 153.95 51.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 1.76 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -121.52 165.23 15.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.094 -0.503 . . . . 0.98 110.93 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.42 117.93 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 1.3 111.724 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 209' ' ' ILE . 95.2 mt -86.19 116.92 24.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.331 -0.395 . . . . 2.1 110.342 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.96 111.92 1.06 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.487 -0.863 . . . . 1.4 112.769 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.633 HD12 HD21 ' A' ' 118' ' ' LEU . 59.6 mt -92.49 120.82 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.309 . . . . 1.53 110.908 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -73.48 90.74 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 4.48 110.725 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.32 135.67 47.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 3.25 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.56 ' HB3' HD12 ' A' ' 215' ' ' ILE . 27.6 tptp -131.27 146.01 52.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 4.32 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.5 t -81.13 117.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 3.13 111.037 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.49 69.68 0.07 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.756 -0.735 . . . . 3.15 112.781 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 217' ' ' VAL . 45.8 t -149.54 155.01 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 3.85 110.959 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.87 166.48 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.535 . . . . 3.82 111.095 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.472 ' HZ3' ' HA ' ' A' ' 157' ' ' GLN . 40.7 ttmt -104.98 136.44 19.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 5.19 110.711 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.43 18.23 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.408 2.072 . . . . 3.09 112.711 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 83.16 47.51 5.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 2.71 112.787 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.65 24.81 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.023 0.439 . . . . 3.94 110.411 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.472 ' HA ' ' HZ3' ' A' ' 153' ' ' LYS . 13.2 pt20 -59.16 -27.57 65.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.728 -0.669 . . . . 3.55 111.34 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -69.49 -33.73 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 4.82 110.896 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.3 -32.61 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 3.12 111.482 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.3 -19.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 3.14 111.276 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.8 -19.2 38.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 3.01 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 35.0 m -54.89 -17.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 2.46 112.243 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.5 -21.14 62.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 2.31 111.127 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.33 -14.32 4.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 2.42 110.631 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -86.24 -35.76 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 1.85 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.548 HG21 HD21 ' A' ' 61' ' ' ASN . 3.2 mp -106.13 51.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.976 0.417 . . . . 2.44 110.676 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.434 ' HA ' HD23 ' A' ' 228' ' ' LEU . 98.4 mttt -55.09 -48.4 73.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 3.75 110.577 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 53.3 p -101.23 161.14 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 2.36 110.599 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 169' ' ' LYS . 0.0 OUTLIER -78.82 147.86 33.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 3.46 110.582 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.52 -21.18 19.66 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.77 . . . . 2.2 112.638 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.445 ' HB3' HG23 ' A' ' 166' ' ' ILE . 56.1 tptt -88.04 142.08 28.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 3.33 110.404 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.422 ' OG ' HD13 ' A' ' 60' ' ' LEU . 1.6 m -96.98 171.27 8.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 2.27 110.779 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -151.94 134.68 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 1.89 111.175 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 157.86 37.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -48.12 138.24 9.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.972 -0.558 . . . . 4.47 111.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.1 t -145.65 -172.8 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 4.59 110.827 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.69 55.73 3.87 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.884 0.373 . . . . 6.35 111.036 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -96.06 109.54 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 4.67 110.812 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -149.9 83.22 6.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 3.92 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.33 -12.78 37.1 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.47 2.113 . . . . 4.59 112.76 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -71.78 -25.14 61.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 8.64 110.788 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -86.02 37.03 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 3.43 112.419 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.75 -15.4 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 5.71 110.603 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.65 128.94 80.76 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 4.53 110.551 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.32 136.82 10.21 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.4 2.067 . . . . 3.71 112.558 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.5 -12.01 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 6.38 110.62 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 78.4 p -155.89 159.18 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 5.07 110.692 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 46' ' ' PRO . 38.9 tp -130.66 100.84 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 4.32 111.039 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -174.02 163.42 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 3.78 110.726 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -139.8 179.9 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.395 . . . . 3.36 110.763 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.497 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 12.7 t-105 -166.3 132.82 2.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 4.16 110.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.0 t -136.15 145.34 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 1.5 111.679 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 194' ' ' PRO . 80.7 t80 -158.98 88.74 2.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.992 -0.549 . . . . 2.91 110.557 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 193' ' ' TYR . 10.9 Cg_endo -54.23 149.12 37.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.641 2.227 . . . . 1.48 112.44 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -149.71 174.43 29.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.885 -0.674 . . . . 1.64 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.953 0.406 . . . . 2.75 110.984 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.98 0.419 . . . . 5.02 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.0 86.27 7.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.956 -0.565 . . . . 3.98 110.543 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 86.3 m -135.41 23.03 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 2.48 110.871 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.49 126.2 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.571 . . . . 1.8 111.163 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 13.5 m -113.25 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.403 -0.362 . . . . 1.27 110.801 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -98.06 108.12 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 2.43 111.095 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.566 ' HB ' HD23 ' A' ' 143' ' ' LEU . 4.1 mm -108.23 157.47 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.847 -0.615 . . . . 1.45 110.887 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 57.0 t -127.0 99.28 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 2.12 110.982 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 145' ' ' ILE . 96.5 mt -63.92 167.98 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 3.85 111.204 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -88.03 -6.69 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 5.85 111.036 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.489 ' HB3' HD13 ' A' ' 145' ' ' ILE . 14.7 tp10 -57.55 134.89 82.22 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.265 -0.425 . . . . 5.91 110.866 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . 0.424 ' HD2' ' OE1' ' A' ' 213' ' ' GLU . 14.5 Cg_endo -56.52 150.27 52.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.663 2.242 . . . . 3.58 112.624 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 148' ' ' LYS . 28.9 pt -86.23 172.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 4.42 111.272 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 47.6 t -47.75 172.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.072 -0.513 . . . . 3.53 111.847 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' ' HB3' ' A' ' 151' ' ' SER . 26.9 m -98.82 177.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 2.45 111.538 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 42.4 t -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 3.39 111.104 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.5 p -67.99 -16.66 64.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 2.82 110.579 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -85.9 -22.13 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 4.51 110.384 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.26 -15.43 35.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 3.92 111.298 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.631 ' HB ' ' HB2' ' A' ' 225' ' ' PHE . 34.9 m -89.1 30.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.513 -0.312 . . . . 2.44 111.734 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.22 -43.66 83.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.861 0.362 . . . . 2.8 110.897 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 3.78 110.786 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . 0.631 ' HB2' ' HB ' ' A' ' 222' ' ' VAL . 48.3 m-85 -70.47 -17.43 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 3.33 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -65.51 -11.18 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.82 110.975 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -86.54 -3.84 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.908 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 167' ' ' LYS . 97.7 mt -93.44 162.04 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.519 . . . . 2.93 111.335 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.83 -159.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 2.92 110.494 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 239' ' ' LEU . 7.4 m-85 -47.67 -28.63 2.5 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.701 0.26 . . . . 5.3 111.701 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 111.889 0.329 . . . . 4.3 111.889 -179.42 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 230' ' ' PHE . 90.7 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.655 0.264 . . . . 5.11 110.801 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -85.65 -12.63 50.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.926 0.394 . . . . 5.21 110.787 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.9 146.78 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.937 -0.574 . . . . 3.44 111.119 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.58 -40.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 3.67 110.424 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.653 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 10.7 m120 -100.2 55.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 3.74 110.686 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -96.99 144.14 27.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 3.25 111.116 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -141.16 118.36 7.69 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.808 -0.633 . . . . 3.78 110.992 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.44 169.63 18.07 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.29 1.994 . . . . 2.43 112.217 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -146.58 161.9 39.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.392 . . . . 3.18 111.601 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.72 143.64 41.24 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.074 -0.512 . . . . 5.35 110.665 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.49 123.74 3.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.533 2.155 . . . . 4.02 112.634 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 31' ' ' VAL . 48.6 tp -80.27 -43.61 21.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.94 110.973 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm 69.91 9.04 6.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.685 -0.689 . . . . 6.83 110.825 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -139.46 176.58 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 5.02 111.005 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 65.37 145.25 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.034 -0.53 . . . . 5.82 111.653 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -102.97 152.53 21.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.863 -0.608 . . . . 3.22 110.719 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.498 HG13 HG23 ' A' ' 33' ' ' ILE . 2.5 mm -90.73 146.27 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 2.02 111.174 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -125.81 89.34 3.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.66 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.14 173.98 6.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 1.46 111.489 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.3 t -78.66 -39.47 36.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 2.32 110.566 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.74 138.68 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 3.3 110.669 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . 0.413 ' N ' ' HB3' ' A' ' 40' ' ' TYR . 17.3 ptpt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.086 -0.959 . . . . 4.59 111.369 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.568 0.223 . . . . 3.57 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.412 ' HG3' ' O ' ' A' ' 246' ' ' PRO . 74.4 Cg_endo -76.01 132.75 14.41 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.472 2.115 . . . . 2.88 112.091 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.87 141.27 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 2.26 110.762 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 6.7 p-10 -92.57 99.04 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 2.44 111.028 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD13 ' A' ' 255' ' ' ILE . 3.9 mp -80.63 127.31 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.514 . . . . 1.53 110.758 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' HG22 ' A' ' 37' ' ' THR . 7.0 m-20 -112.15 129.56 56.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.51 111.016 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p -56.75 -26.34 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.615 -0.721 . . . . 1.95 111.594 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.48 -40.75 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 3.43 110.982 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 34' ' ' ASP . 11.7 t -87.04 -10.1 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 1.73 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 255' ' ' ILE . . . -62.6 157.34 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 1.29 111.048 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -140.69 118.37 11.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 3.53 111.025 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -72.28 136.36 46.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 4.17 110.623 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -115.96 94.33 41.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 3.04 111.167 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.22 27.63 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.448 2.099 . . . . 2.3 112.239 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -79.03 -0.11 29.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 3.07 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.4 pt? -142.07 139.87 32.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 3.08 110.76 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 24.7 mtpp -91.08 157.01 43.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 4.28 110.621 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 11.3 Cg_endo -54.74 157.68 12.16 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.486 2.124 . . . . 2.41 112.333 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.548 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.0 pt? -125.66 134.52 51.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 5.24 111.074 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.3 m -80.54 151.85 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.968 -0.56 . . . . 2.67 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.31 143.44 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 2.44 111.139 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -113.45 136.34 52.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 2.58 110.949 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -165.59 33.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 4.87 111.304 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.81 -23.33 31.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 4.17 110.258 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -95.64 -12.12 26.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.738 -0.664 . . . . 4.62 110.625 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -48.91 120.52 3.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.207 -0.451 . . . . 1.97 111.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -90.85 128.95 36.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 1.9 111.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -170.75 105.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 1.87 110.38 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.6 mp -102.09 -39.14 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.62 -0.264 . . . . 3.58 111.247 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 20.7 tpt180 -176.37 165.35 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 4.62 110.758 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 42.4 pt -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 1.72 110.938 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.8 tp -92.63 147.35 22.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 2.58 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.18 157.06 16.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 1.94 110.62 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -106.3 17.59 23.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 3.13 111.491 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.13 0.51 61.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 2.64 111.961 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -137.44 -58.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 4.34 110.406 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.9 149.41 36.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 2.12 110.671 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.442 ' H ' ' HE1' ' A' ' 95' ' ' PHE . 37.1 p90 -126.21 138.22 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.041 0.448 . . . . 3.39 111.452 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -121.64 153.05 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 2.57 110.078 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 59' ' ' ILE . 29.9 m -91.24 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 1.95 111.292 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.42 107.19 8.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 3.84 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -93.37 141.64 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 4.12 110.629 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.04 136.55 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 3.04 110.578 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -132.36 23.43 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 3.88 110.821 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.1 p -59.02 -39.43 81.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 3.2 111.306 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -135.25 28.9 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 4.06 111.512 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 59.13 88.39 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 2.84 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.631 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 47.3 mmtm -73.85 -73.84 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 3.26 110.995 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -101.09 152.62 20.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.322 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 79' ' ' LEU . 8.9 p -146.51 165.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 1.72 110.717 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 78' ' ' VAL . 19.8 tp -134.52 122.08 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.525 -0.307 . . . . 2.3 110.736 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.626 ' HD2' ' HB ' ' A' ' 87' ' ' THR . 82.6 tttt -159.31 138.43 11.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 2.67 111.06 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 47' ' ' LEU . . . 175.6 -155.09 19.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.822 -0.704 . . . . 2.5 112.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.79 -158.19 8.31 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.743 -0.741 . . . . 2.63 112.761 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.6 -41.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.685 2.257 . . . . 4.13 112.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.15 156.26 15.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 3.0 111.19 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.72 18.83 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 5.04 110.707 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.96 82.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 1.92 112.259 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.626 ' HB ' ' HD2' ' A' ' 80' ' ' LYS . 9.8 t -57.98 136.96 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 1.68 111.436 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.604 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 77.6 m-85 -111.42 131.24 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 3.43 110.678 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 122' ' ' HIS . 16.7 ptm180 -97.81 144.37 27.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 3.79 110.834 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.836 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.7 pt? -100.09 142.89 30.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 2.52 110.598 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.572 HD13 HG23 ' A' ' 121' ' ' VAL . 3.9 mp -113.78 -70.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 2.47 111.493 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.11 172.17 18.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.76 0.314 . . . . 2.41 111.109 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 33.7 p90 -152.95 159.25 42.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 1.57 111.355 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 4.5 p-80 -128.3 166.17 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.736 -0.666 . . . . 1.29 110.18 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.442 ' HE1' ' H ' ' A' ' 66' ' ' PHE . 32.5 p90 -111.25 150.15 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 3.19 110.38 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -96.31 145.95 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 1.68 110.961 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 241' ' ' VAL . 7.3 m-90 -63.37 136.93 57.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 5.75 111.087 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 241' ' ' VAL . . . 179.59 108.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.96 -0.638 . . . . 3.04 112.25 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.621 ' H ' HG11 ' A' ' 241' ' ' VAL . 47.0 t -91.97 -35.27 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 4.29 111.075 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.7 mt -88.73 150.95 22.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 5.2 111.129 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -93.65 -0.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 5.33 110.855 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.83 -17.02 36.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.784 -0.722 . . . . 4.18 111.94 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.502 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 3.8 pt20 -139.45 148.17 42.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.681 0.277 . . . . 4.67 110.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.68 -60.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.524 -0.846 . . . . 1.95 112.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -80.8 168.75 18.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 2.04 111.11 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.68 16.92 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 2.64 110.927 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 50.0 m80 -143.52 169.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 2.11 110.618 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 42.8 m -137.26 80.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 1.88 111.318 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 26.0 m -84.66 148.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.521 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 32.74 21.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 2.18 110.404 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 59.35 22.5 10.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.062 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -136.36 151.68 49.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 3.86 110.807 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.8 ttmp? -114.79 133.7 55.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 2.57 110.55 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -71.72 166.5 21.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.852 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.37 -28.09 22.4 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 1.72 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -175.4 176.23 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 1.55 110.822 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.35 152.84 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 2.4 111.104 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 145' ' ' ILE . 67.4 mt -88.89 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 2.07 111.086 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -102.42 95.42 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 1.71 111.259 -179.699 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 143' ' ' LEU . 40.9 tp -102.34 136.26 42.49 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.194 -0.298 . . . . 2.51 110.194 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HD13 ' A' ' 91' ' ' ILE . 22.1 m -112.4 147.56 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 1.83 111.73 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 31.8 m-70 -131.69 152.65 50.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 2.43 110.677 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -137.85 149.63 46.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.076 0.465 . . . . 3.95 111.096 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -76.09 111.83 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.708 -0.678 . . . . 2.19 110.529 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 t -84.67 -14.98 46.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.293 -0.412 . . . . 1.77 111.958 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -63.27 -32.23 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 3.65 110.854 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.09 -17.06 47.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 4.38 111.148 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.17 -26.41 19.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 2.22 113.17 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -143.25 146.83 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 3.07 111.233 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 134' ' ' VAL . 42.5 p90 -65.26 -21.27 66.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 3.08 110.79 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.05 95.96 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.512 -0.852 . . . . 2.36 111.768 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.72 -17.32 59.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 3.63 110.246 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.29 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 1.73 110.446 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 130' ' ' PHE . 8.5 t -77.14 -2.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 2.3 110.67 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.1 -15.43 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.84 110.764 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -147.43 152.98 43.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.22 110.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.67 -10.83 29.62 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.552 2.168 . . . . 2.44 112.573 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.06 9.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 2.64 110.778 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.55 -16.32 40.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.816 -0.706 . . . . 1.49 112.308 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.1 pt? -140.14 126.22 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 1.76 110.825 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.36 160.71 24.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.98 111.006 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.72 112.16 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.3 111.242 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.588 ' HB3' HD23 ' A' ' 120' ' ' LEU . 50.8 tp -90.24 144.35 25.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 2.1 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -120.82 125.95 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.937 -0.649 . . . . 1.4 112.221 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.531 ' HB ' HD12 ' A' ' 118' ' ' LEU . 63.5 mt -119.17 140.07 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 1.53 111.223 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.9 82.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.981 -0.554 . . . . 4.48 111.204 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 3.25 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -112.45 156.49 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 4.32 110.826 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.23 126.09 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 3.13 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.401 ' HA2' HG21 ' A' ' 222' ' ' VAL . . . -176.33 -102.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.421 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 217' ' ' VAL . 26.4 t -160.42 -177.43 6.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.756 0.312 . . . . 3.85 110.898 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.27 -52.69 5.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 3.82 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 156' ' ' LEU . 8.8 ptpp? -106.3 151.4 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 5.19 111.058 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.71 1.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.684 2.256 . . . . 3.09 112.474 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.7 -48.66 3.37 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.722 -0.751 . . . . 2.71 112.831 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.408 ' H ' ' HG3' ' A' ' 153' ' ' LYS . 65.4 mt 60.69 29.08 18.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.359 . . . . 3.94 110.904 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.26 -56.99 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 3.55 110.76 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -71.45 -20.65 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 4.82 110.736 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.99 -22.85 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 3.12 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.49 -37.38 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 3.14 111.08 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.74 -47.1 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 3.01 110.993 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 166' ' ' ILE . 27.7 m -76.03 -26.26 17.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 2.46 111.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 164' ' ' ASP . 2.5 tt -65.4 -52.8 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 2.31 111.234 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.428 ' N ' HD23 ' A' ' 163' ' ' LEU . 17.7 t70 -54.93 -17.66 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 2.42 110.592 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.6 t -85.81 -42.17 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 1.85 110.526 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 173' ' ' ALA . 23.6 pt -94.14 45.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 2.44 111.236 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.64 -48.44 66.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 3.75 110.711 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 29.8 p -107.79 148.42 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.763 -0.653 . . . . 2.36 110.626 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -63.48 139.24 58.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.742 0.306 . . . . 3.46 110.583 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 102.39 2.23 50.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.811 -0.709 . . . . 2.2 112.587 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -109.57 152.04 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 3.33 111.007 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.6 p -105.35 162.57 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 2.27 110.612 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.546 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -129.08 130.51 46.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 1.89 111.149 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.39 114.64 3.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.435 -0.348 . . . . 3.74 110.982 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -154.63 139.64 17.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 4.47 110.754 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 t -160.36 -173.86 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 4.59 110.751 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 54.35 56.74 6.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.056 0.455 . . . . 6.35 110.695 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -87.42 143.93 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 4.67 111.038 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.46 89.67 13.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.537 . . . . 3.92 111.042 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . 0.476 ' HA ' HD23 ' A' ' 183' ' ' LEU . 72.8 Cg_endo -76.98 -8.09 17.62 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.501 2.134 . . . . 4.59 112.561 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.06 -19.36 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 8.64 110.783 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -76.5 -11.18 85.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 3.43 112.544 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 180' ' ' PRO . 3.7 mm? -85.83 18.21 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 5.71 110.583 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.497 HD12 ' HD2' ' A' ' 185' ' ' PRO . 51.9 tp -64.84 117.25 36.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 4.53 111.112 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . 0.497 ' HD2' HD12 ' A' ' 184' ' ' LEU . 89.3 Cg_endo -80.8 133.84 9.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.506 2.137 . . . . 3.71 112.456 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.68 -10.62 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 6.38 110.849 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.9 m -121.61 156.53 32.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 5.07 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.28 144.34 44.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 4.32 111.0 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -176.7 144.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.514 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 258' ' ' SER . 84.5 m-85 -135.04 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 3.36 110.724 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.731 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 74.5 t90 -176.24 114.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 4.16 110.23 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.5 t -129.16 163.95 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 1.5 111.5 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -146.73 75.62 12.0 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 2.91 110.671 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.78 136.56 6.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.661 2.241 . . . . 1.48 112.307 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 153.31 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.654 -0.784 . . . . 1.64 112.671 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . 0.608 ' HA ' HD13 ' A' ' 203' ' ' LEU . 77.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 2.75 111.256 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.608 HD13 ' HA ' ' A' ' 196' ' ' SER . 2.1 pp . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.819 0.342 . . . . 5.02 111.153 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 204' ' ' GLU . 0.0 OUTLIER -83.77 3.16 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 3.98 111.012 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.7 m -148.01 47.58 1.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 2.48 111.52 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.35 122.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.94 0.4 . . . . 1.8 111.718 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 91.6 m -113.3 140.56 47.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 1.27 110.438 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -100.64 115.54 30.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 2.43 110.966 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -117.21 155.2 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 1.45 110.741 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 209' ' ' ILE . 33.8 m -109.37 139.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 2.12 110.853 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 15.5 tp -69.73 132.78 46.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 3.85 110.834 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -71.33 -9.95 58.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.248 -0.433 . . . . 5.85 111.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.421 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 17.4 mm-40 -70.67 162.18 72.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 5.91 110.759 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 185' ' ' PRO . 78.7 Cg_exo -48.1 142.49 15.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.397 2.065 . . . . 3.58 112.507 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 20.0 mt -79.92 149.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 4.42 111.44 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 40.8 t -65.18 173.21 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 3.53 110.718 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 151' ' ' SER . 31.2 m -99.04 177.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 2.45 110.76 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.0 t -102.72 170.8 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 3.39 111.554 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 45.0 t -52.59 -37.99 59.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 2.82 110.903 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.74 -29.5 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 4.51 111.265 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.98 -21.37 24.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 3.92 111.347 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 18.2 m -117.04 31.06 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.676 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.54 -28.13 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 2.8 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 34.8 mtmm -86.46 -22.88 26.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.78 111.133 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 78.4 t80 -84.07 -29.81 26.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 3.33 110.945 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 226' ' ' ARG . 2.8 mmp_? -69.62 -1.05 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 4.82 111.611 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 96.1 mttt -69.91 -8.86 52.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.702 0.287 . . . . 3.25 111.099 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.13 161.92 6.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.411 . . . . 2.93 111.127 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -93.27 139.87 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 2.92 111.047 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -89.5 3.46 52.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 5.3 110.851 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 4.3 110.6 -179.517 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 242' ' ' ASP . 61.0 tp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.599 0.238 . . . . 5.11 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 61.8 mtt -47.12 -64.12 0.86 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.19 -0.459 . . . . 5.21 111.007 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 99' ' ' SER . 2.3 p -141.47 144.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 3.44 111.434 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.441 ' HB3' HD23 ' A' ' 239' ' ' LEU . 5.1 p-10 -162.76 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.704 . . . . 3.67 110.081 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.51 56.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 3.74 110.692 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -97.0 167.9 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 3.25 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -136.74 158.11 73.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 3.78 111.086 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' PRO . 50.3 Cg_exo -54.37 173.13 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.478 2.119 . . . . 2.43 112.465 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -145.13 31.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.18 110.97 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -69.01 119.27 68.76 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.162 -0.472 . . . . 5.35 110.955 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.57 136.5 21.46 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.369 2.046 . . . . 4.02 112.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 49.7 mt -80.17 -48.92 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 3.94 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -177.0 -63.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 6.83 110.542 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . 0.422 HD21 HG21 ' A' ' 37' ' ' THR . 3.8 t-20 -168.88 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 5.02 110.666 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 60.59 158.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.115 0.483 . . . . 5.82 111.634 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -108.68 143.23 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 3.22 110.481 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 38' ' ' ALA . 10.8 tp -92.28 144.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 2.02 111.429 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -112.77 73.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 2.91 110.402 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.83 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 1.46 111.13 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 190' ' ' TYR . 48.5 t -76.85 -43.32 36.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.11 -0.495 . . . . 2.32 110.287 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -112.91 176.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 3.3 111.169 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 4.59 111.075 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.299 0.095 . . . . 3.57 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.21 135.64 65.48 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.385 2.057 . . . . 2.88 112.227 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.08 163.45 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.212 -0.449 . . . . 2.26 110.696 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.73 98.74 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 2.44 111.025 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -78.0 125.9 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 1.53 110.748 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB2' HG22 ' A' ' 37' ' ' THR . 1.4 m-20 -112.74 127.47 56.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.51 111.04 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.6 m -80.24 -26.16 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 1.95 110.628 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.94 -40.89 83.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 3.43 111.01 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 255' ' ' ILE . 11.6 t -81.23 -14.8 57.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.73 111.051 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 157.46 27.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 1.29 111.116 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -125.97 120.78 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 3.53 110.948 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -57.1 123.51 15.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 4.17 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -119.63 95.42 49.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 3.04 110.944 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 -6.76 16.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.394 2.063 . . . . 2.3 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.8 m -60.85 -45.57 94.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 3.07 110.907 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -72.46 133.22 44.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 3.08 110.855 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.85 152.21 50.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 4.28 110.718 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.6 127.81 22.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.542 2.161 . . . . 2.41 112.366 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 pp -62.02 172.99 1.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 5.24 111.288 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 60.7 m -135.53 150.45 49.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 2.67 110.772 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.78 137.75 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 2.44 111.388 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' VAL . 53.2 m -113.54 145.68 40.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 2.58 110.96 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -166.46 57.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 4.87 110.882 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.86 -42.49 14.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.563 . . . . 4.17 109.827 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.91 -3.75 31.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 4.62 110.357 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -51.08 121.05 5.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.479 . . . . 1.97 111.194 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 m -149.68 142.29 24.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.9 111.267 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -86.89 149.79 24.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.057 -0.519 . . . . 1.87 110.37 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 tp -117.91 -38.86 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 3.58 111.825 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -167.76 162.69 13.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.347 . . . . 4.62 111.279 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' O ' HG13 ' A' ' 59' ' ' ILE . 23.4 pt -128.96 104.58 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.119 -0.491 . . . . 1.72 111.04 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.9 tp -113.34 153.68 28.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.181 -0.463 . . . . 2.58 111.403 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.454 HD22 ' HG3' ' A' ' 169' ' ' LYS . 1.9 m-20 -110.93 162.14 15.13 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.909 -0.587 . . . . 1.94 110.684 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.82 15.35 25.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.832 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 14.29 61.47 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.507 -0.854 . . . . 2.64 112.562 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 12.7 p80 -175.23 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 4.34 110.303 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 137.19 53.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 2.12 109.766 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' HIS . 37.7 p90 -120.1 133.79 55.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 3.39 111.114 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 1.5 m-20 -109.01 101.3 10.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.92 -0.582 . . . . 2.57 110.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' A' ' 59' ' ' ILE . 24.9 m -119.24 147.28 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.95 111.412 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -175.07 -96.04 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.294 -0.412 . . . . 3.84 110.934 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -138.06 175.36 9.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.697 0.284 . . . . 4.12 110.728 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -67.69 135.62 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 3.04 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.24 -11.15 24.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 3.88 110.965 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 t -54.9 -40.2 69.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 3.2 110.987 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -126.0 173.69 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 4.06 110.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.52 51.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 2.84 111.07 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 6.2 ptpp? -69.52 -7.03 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.062 -0.517 . . . . 3.26 110.968 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -155.36 120.2 4.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.136 -0.484 . . . . 1.42 110.995 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 50' ' ' SER . 32.6 m -121.53 167.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 1.72 111.021 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 tt -142.55 141.52 32.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 2.3 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HB2' ' H ' ' A' ' 48' ' ' SER . 96.8 mttt -117.1 168.99 9.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 2.67 110.556 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.76 30.53 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 2.5 112.642 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -165.34 30.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.762 -0.732 . . . . 2.63 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.01 -10.23 27.88 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.523 2.149 . . . . 4.13 112.376 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.37 149.47 42.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 3.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -91.17 0.26 57.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 5.04 110.771 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.89 72.5 2.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.721 . . . . 1.92 112.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -66.32 129.35 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 1.68 111.795 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.501 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 48.1 m-85 -92.79 120.56 33.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 3.43 110.171 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 125' ' ' THR . 56.2 ttp180 -66.37 136.68 56.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.318 . . . . 3.79 111.14 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.42 139.85 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.52 110.368 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -80.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.46 -0.336 . . . . 2.47 111.73 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -151.01 171.15 17.76 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.639 0.257 . . . . 2.41 110.907 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 31.3 p90 -138.64 144.92 39.9 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.977 0.418 . . . . 1.57 111.262 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.566 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.4 p-80 -117.66 168.07 10.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.804 -0.634 . . . . 1.29 110.732 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -120.61 154.12 35.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.958 0.409 . . . . 3.19 111.91 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -112.06 161.97 15.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.855 -0.611 . . . . 1.68 110.445 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.406 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 21.9 m-90 -140.56 109.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.701 0.286 . . . . 5.75 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 151.81 36.66 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.67 -0.776 . . . . 3.04 112.68 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.474 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 85.1 p -72.47 -15.51 61.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.824 0.345 . . . . 4.29 110.869 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.69 137.07 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 5.2 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.22 17.02 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 5.33 110.938 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.98 -42.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.301 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 3.7 pt20 -167.86 143.22 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 4.67 110.861 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.96 58.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 1.95 112.582 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 t -104.81 151.59 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.635 0.255 . . . . 2.04 110.782 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.42 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.64 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -85.46 168.29 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 2.11 110.767 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.4 p -139.49 108.18 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 1.88 111.008 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.421 HG12 ' HB ' ' A' ' 33' ' ' ILE . 32.6 m -93.13 156.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 2.24 111.265 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 4.4 m-20 54.81 30.6 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.824 -0.625 . . . . 2.18 111.18 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 58.79 22.62 10.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 3.37 111.155 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 75.8 mmtt -126.08 149.09 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 3.86 110.804 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.78 150.65 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 2.57 110.955 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.27 171.88 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 2.18 110.44 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -61.65 -54.16 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 1.72 111.037 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.61 -179.58 7.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 1.55 110.726 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -152.51 134.0 14.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 2.4 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 147' ' ' LEU . 3.5 pp -86.85 147.73 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 2.07 110.292 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.566 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 8.4 m170 -117.82 121.53 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 1.71 111.816 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 143' ' ' LEU . 1.1 mp -105.82 142.85 34.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 2.51 110.481 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 t -111.37 138.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 1.83 111.071 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 74.0 m80 -131.8 132.94 44.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 2.43 111.002 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -129.78 139.76 51.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 3.95 110.676 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -56.35 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.867 -0.606 . . . . 2.19 111.27 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 89' ' ' ARG . 4.2 t -74.57 -15.08 60.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 1.77 110.707 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -57.5 -33.38 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 3.65 110.651 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -89.4 -20.96 23.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 4.38 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.4 -12.25 51.99 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 2.22 112.267 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -141.59 145.47 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 3.07 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -72.53 -19.36 61.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 3.08 110.858 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -54.69 -42.39 77.57 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.766 -0.731 . . . . 2.36 112.471 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.87 -17.35 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 3.63 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.56 67.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 1.73 110.856 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.686 ' HA ' HD22 ' A' ' 140' ' ' LEU . 19.3 m -75.32 -7.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 2.3 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -82.11 8.74 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 3.84 111.308 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 139' ' ' GLY . 3.7 pt20 -158.98 140.47 9.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.473 -0.331 . . . . 3.22 110.878 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 31.1 Cg_exo -61.63 -19.87 66.63 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.533 2.156 . . . . 2.44 112.161 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -102.58 22.07 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 2.64 110.944 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 136' ' ' GLN . . . -108.65 -17.62 10.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.843 -0.694 . . . . 1.49 112.423 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 134' ' ' VAL . 1.6 pt? -139.64 128.17 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 1.76 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.38 122.08 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.98 110.844 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -94.21 108.7 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.3 111.172 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 211' ' ' LEU . 20.4 tp -85.99 144.41 27.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 2.1 110.439 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.69 132.8 6.75 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.515 -0.85 . . . . 1.4 113.03 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.482 HD12 HD11 ' A' ' 118' ' ' LEU . 68.0 mt -128.81 110.18 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 1.53 110.813 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -63.63 159.45 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 4.48 110.789 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 118' ' ' LEU . 89.8 mt -132.66 125.1 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.868 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -116.77 143.78 45.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 4.32 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.6 t -93.73 147.44 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 3.13 110.921 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.73 19.35 9.25 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.722 -0.752 . . . . 3.15 112.648 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.5 m -122.72 107.03 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 3.85 110.843 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.509 ' HA ' ' HB3' ' A' ' 218' ' ' SER . . . -59.35 137.66 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 3.82 111.13 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 156' ' ' LEU . 17.1 pttp -68.08 134.53 91.64 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.233 -0.44 . . . . 5.19 110.746 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 26.8 Cg_exo -62.87 -0.49 2.09 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.526 2.151 . . . . 3.09 112.368 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 133.76 62.21 0.07 OUTLIER Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.829 -0.7 . . . . 2.71 112.424 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 153' ' ' LYS . 8.4 mp -114.86 26.16 10.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.759 0.314 . . . . 3.94 110.781 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.92 -46.16 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 3.55 111.177 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -54.84 -44.21 73.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 4.82 111.315 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.15 -26.93 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 3.12 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.98 -31.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 3.14 111.223 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.76 -42.34 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 3.01 110.784 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.88 -23.36 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 2.46 111.143 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 164' ' ' ASP . 4.1 tt -69.28 -53.85 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 2.31 111.309 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.425 ' N ' HD23 ' A' ' 163' ' ' LEU . 21.1 t70 -56.34 -13.06 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 2.42 110.988 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 34.3 t -84.76 -44.01 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 1.85 111.425 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.515 HG22 ' CB ' ' A' ' 171' ' ' LYS . 1.6 pp -130.22 47.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.966 0.412 . . . . 2.44 111.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -66.97 -47.83 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 3.75 111.588 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 40.1 p -72.62 151.94 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.378 . . . . 2.36 111.522 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.454 ' HG3' HD22 ' A' ' 61' ' ' ASN . 4.9 mptp? -72.28 148.05 45.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 3.46 111.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.43 -21.11 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.866 -0.683 . . . . 2.2 112.39 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.515 ' CB ' HG22 ' A' ' 166' ' ' ILE . 59.1 mttp -109.08 177.15 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 3.33 111.115 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -160.93 169.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.83 -0.623 . . . . 2.27 110.516 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -153.65 140.34 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.723 0.297 . . . . 1.89 111.287 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -87.38 130.41 34.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.315 -0.402 . . . . 3.74 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -145.74 104.97 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.306 -0.406 . . . . 4.47 110.734 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 35.3 p -107.84 -172.91 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 4.59 111.403 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 57.49 56.83 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.566 . . . . 6.35 111.058 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 180' ' ' PRO . 68.4 t80 -93.86 150.99 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 4.67 110.673 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -114.11 85.44 10.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 3.92 111.243 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . 0.578 ' HA ' HD13 ' A' ' 183' ' ' LEU . 14.9 Cg_exo -68.66 -8.05 22.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.617 2.211 . . . . 4.59 112.326 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.31 -36.93 83.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 8.64 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -71.41 -14.47 74.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.636 -0.793 . . . . 3.43 112.506 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 180' ' ' PRO . 6.7 mp -94.69 19.07 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.563 0.22 . . . . 5.71 110.987 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 pp -49.59 133.5 19.32 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.299 -0.409 . . . . 4.53 111.113 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.41 162.16 19.67 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.71 2.274 . . . . 3.71 112.557 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.8 -21.43 61.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 6.38 111.032 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.5 m 52.45 78.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 5.07 111.111 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.464 ' HB2' ' HG2' ' A' ' 212' ' ' LYS . 11.5 mt -150.77 -177.79 6.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 4.32 111.112 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.409 ' HB2' ' HD2' ' A' ' 259' ' ' PHE . 9.2 m-20 -54.39 166.76 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 3.78 110.796 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 258' ' ' SER . 36.9 p90 -166.75 139.99 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 3.36 110.67 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.623 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 43.6 p90 -76.81 152.15 35.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 4.16 110.761 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.1 t -135.12 170.52 15.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 1.5 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 208' ' ' TRP . 82.5 t80 -169.61 130.9 1.02 Allowed Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.041 -0.527 . . . . 2.91 110.372 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.03 127.57 26.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.198 1.932 . . . . 1.48 112.292 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . 0.534 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -93.65 10.16 72.91 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.729 -0.748 . . . . 1.64 112.507 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 204' ' ' GLU . 79.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.565 0.222 . . . . 2.75 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.073 0.463 . . . . 5.02 110.83 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 196' ' ' SER . 47.0 mt-10 -91.84 20.28 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 3.98 110.807 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.19 15.83 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 2.48 110.446 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.71 132.46 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.748 -0.66 . . . . 1.8 110.985 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.534 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 27.7 m -113.59 149.18 34.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.541 -0.299 . . . . 1.27 110.88 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' TYR . 50.5 t-105 -111.26 108.76 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 2.43 110.854 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -131.78 155.44 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 1.45 110.891 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.41 HG21 ' NE1' ' A' ' 191' ' ' TRP . 35.3 m -128.35 145.49 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 2.12 111.292 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.54 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 29.1 tp -94.22 147.62 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 3.85 110.764 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 188' ' ' LEU . 22.8 tptm -66.59 -20.1 65.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 5.85 111.16 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.54 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 40.7 tt0 -57.08 110.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 5.91 110.674 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.99 130.31 4.86 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.543 2.162 . . . . 3.58 112.85 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 44.0 mm -130.91 120.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 4.42 110.365 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 60.0 m -136.9 151.37 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 3.53 111.305 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.48 155.29 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 2.45 110.602 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.509 ' HB3' ' HA ' ' A' ' 152' ' ' ALA . 92.4 p -89.89 148.45 23.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 3.39 110.738 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.413 ' O ' HG12 ' A' ' 222' ' ' VAL . 49.2 m -62.58 -15.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 2.82 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.42 -31.27 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 4.51 111.201 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -87.88 -15.34 36.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 3.92 112.013 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.424 HG13 HD22 ' A' ' 223' ' ' LEU . 14.5 p -74.11 -27.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 2.44 110.952 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 222' ' ' VAL . 4.2 mm? -65.04 -22.12 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 2.8 110.434 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -84.72 -31.72 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 3.78 110.754 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -71.8 -24.06 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 3.33 110.841 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -84.63 -1.08 55.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.992 -0.549 . . . . 4.82 111.062 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.103 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.431 HD13 ' HE2' ' A' ' 169' ' ' LYS . 4.2 pp -74.93 162.03 28.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 2.93 110.796 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 229' ' ' ASN . 0.9 OUTLIER -109.07 160.95 15.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 2.92 110.979 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 64.8 t80 -53.15 -47.56 68.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.837 0.351 . . . . 5.3 110.446 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 4.3 110.805 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.3 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.339 . . . . 5.11 111.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 15.6 ptm -62.25 -26.05 68.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 5.21 110.816 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 34.3 m -88.96 -171.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.559 -0.746 . . . . 3.44 111.141 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 241' ' ' VAL . 25.5 t70 78.73 33.98 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.979 -0.555 . . . . 3.67 110.598 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.406 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 2.2 m-20 -112.0 39.59 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.651 -0.704 . . . . 3.74 110.364 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -106.01 150.95 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.684 . . . . 3.25 110.968 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 25.3 mmm180 -123.52 128.39 25.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.954 -0.566 . . . . 3.78 110.705 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 21.5 Cg_exo -66.23 143.11 69.64 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.563 2.175 . . . . 2.43 112.461 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -99.11 173.51 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 3.18 110.916 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 12.1 pt20 -136.31 137.61 24.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.373 -0.376 . . . . 5.35 111.047 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 13.3 Cg_exo -69.53 125.8 12.7 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.681 2.254 . . . . 4.02 112.245 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 250' ' ' LEU . 0.3 OUTLIER -80.08 -41.87 24.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 3.94 111.139 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 56.38 21.22 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 6.83 109.952 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.15 -174.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.551 -0.75 . . . . 5.02 110.753 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -71.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 5.82 110.945 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -133.32 154.4 50.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 3.22 110.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.64 HG22 HG23 ' A' ' 37' ' ' THR . 17.7 tt -111.93 131.65 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 2.02 111.04 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -70.25 118.73 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 2.91 110.739 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -150.78 140.72 21.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 1.46 111.224 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.9 t -79.3 -8.05 58.76 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.143 0.497 . . . . 2.32 109.987 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.409 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 88.6 t80 -111.71 137.84 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.452 -0.795 . . . . 3.3 110.478 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.384 -0.817 . . . . 4.59 111.2 179.855 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.458 0.171 . . . . 3.57 111.094 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.88 156.66 52.45 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.645 2.23 . . . . 2.88 111.916 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 32' ' ' ASP . 27.0 t -117.75 157.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 2.26 110.549 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.9 m-20 -93.97 98.56 11.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 2.44 110.508 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' HB ' HG12 ' A' ' 109' ' ' VAL . 4.4 mp -96.93 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 1.53 111.105 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 37' ' ' THR . 5.3 m-20 -109.85 129.24 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.51 111.09 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.7 m -76.69 -19.94 57.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 1.95 110.538 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -67.01 -40.59 87.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.793 -0.64 . . . . 3.43 110.824 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.47 -10.2 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 1.73 111.132 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.09 155.88 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.102 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -147.12 149.99 34.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 3.53 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 257' ' ' ALA . 35.1 p90 -93.7 138.9 31.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 4.17 110.906 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.71 94.01 33.11 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 3.04 110.984 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -78.51 34.98 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.487 2.125 . . . . 2.3 112.457 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -65.86 -45.33 82.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.374 -0.376 . . . . 3.07 111.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.52 154.68 41.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 3.08 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -107.49 126.05 30.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 4.28 110.817 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.99 129.89 11.84 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.024 . . . . 2.41 112.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.73 -61.7 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 5.24 111.03 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.429 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 35.5 t -135.73 151.01 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 2.67 111.022 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG13 ' HB3' ' A' ' 52' ' ' ASP . 10.2 p -106.92 143.38 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.714 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -90.84 151.76 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 2.58 111.713 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' H ' ' HA ' ' A' ' 77' ' ' ALA . 22.5 t80 63.34 43.25 6.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.635 -0.711 . . . . 4.87 110.855 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' HB3' HG13 ' A' ' 49' ' ' VAL . 7.2 p-10 -92.23 -30.06 16.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.786 -0.643 . . . . 4.17 110.133 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -145.72 23.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 4.62 110.914 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.42 144.28 51.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.42 -0.355 . . . . 1.97 111.115 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 178' ' ' PHE . 94.7 m -143.48 138.54 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.9 111.308 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -90.12 144.47 25.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.026 -0.534 . . . . 1.87 110.762 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.22 -36.12 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 3.58 111.144 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -158.84 143.83 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.265 -0.425 . . . . 4.62 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.3 pt -127.15 127.56 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.72 110.913 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' HB2' ' A' ' 172' ' ' SER . 5.2 mp -113.31 155.16 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 2.58 111.358 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.446 HD21 ' HB ' ' A' ' 166' ' ' ILE . 2.5 m-20 -109.85 151.18 27.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.94 110.582 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.27 23.37 14.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.952 0.353 . . . . 3.13 111.952 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.8 14.45 82.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.381 -0.914 . . . . 2.64 112.555 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -172.12 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 4.34 110.437 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.98 141.88 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.586 . . . . 2.12 110.685 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -125.06 153.61 42.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 3.39 111.038 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.71 152.98 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 2.57 110.431 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.6 m -95.82 135.63 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 1.95 111.237 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.05 141.52 50.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.813 0.34 . . . . 3.84 110.968 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -102.2 145.52 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 4.12 110.767 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.7 152.07 32.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 3.04 110.648 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.75 3.92 49.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 3.88 111.5 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 3.2 110.553 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -128.63 -174.55 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.836 -0.62 . . . . 4.06 110.405 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.21 -26.92 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 2.84 110.768 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 60.17 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.967 -0.561 . . . . 3.26 111.661 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HA ' ' H ' ' A' ' 51' ' ' TYR . . . -102.26 123.57 46.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 1.42 111.193 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 89' ' ' ARG . 16.6 m -142.03 127.87 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 1.72 111.183 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.5 tp -114.01 134.13 55.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.38 -0.373 . . . . 2.3 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 48' ' ' SER . 97.1 mttt -128.28 169.24 14.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 2.67 110.493 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.35 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 2.5 112.432 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.26 -150.96 18.73 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.563 -0.827 . . . . 2.63 112.067 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.19 86.01 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.238 1.959 . . . . 4.13 111.406 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.0 tp -53.23 114.6 1.53 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.115 -0.493 . . . . 3.0 111.451 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -134.4 26.6 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 5.04 109.991 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.29 104.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.723 -0.671 . . . . 1.92 111.987 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -57.23 147.63 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 1.68 111.495 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -97.76 117.21 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 3.43 110.684 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HG2' HG12 ' A' ' 78' ' ' VAL . 73.4 mtt180 -100.37 134.52 43.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 3.79 111.049 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 8.4 mp -83.14 130.28 35.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 2.52 110.479 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.527 HG13 ' H ' ' A' ' 92' ' ' GLN . 1.6 pt -96.77 -62.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 2.47 111.875 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.527 ' H ' HG13 ' A' ' 91' ' ' ILE . 10.0 pt20 -156.91 155.02 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.856 0.36 . . . . 2.41 111.529 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 38.9 p90 -153.82 147.17 24.85 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.955 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.541 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.0 p-80 -114.95 165.66 12.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 1.29 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -111.42 163.7 13.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.974 0.416 . . . . 3.19 111.417 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -123.79 152.62 42.02 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.888 -0.596 . . . . 1.68 110.554 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.519 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 22.7 m-90 -140.41 103.26 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 5.75 111.221 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.36 172.69 55.12 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 3.04 112.484 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.556 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 33.0 t -75.73 -33.38 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 4.29 110.652 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.68 135.49 52.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 5.2 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.81 7.03 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 5.33 110.757 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.6 -22.24 6.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 4.18 112.171 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -157.38 169.19 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 4.67 110.933 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.454 ' H ' ' HE3' ' A' ' 113' ' ' LYS . . . 102.02 48.3 1.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.86 -0.686 . . . . 1.95 112.319 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.597 ' H ' ' HE3' ' A' ' 113' ' ' LYS . 41.2 t -101.64 -77.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 2.04 111.341 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.48 -25.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 2.64 110.616 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 248' ' ' GLN . 14.0 p80 -157.07 176.45 12.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 2.11 110.321 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.0 p -129.78 100.39 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 1.88 111.659 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.493 HG12 ' HB ' ' A' ' 33' ' ' ILE . 24.2 m -98.03 147.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.332 -0.394 . . . . 2.24 110.778 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.9 t70 54.35 33.14 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.452 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 62.65 25.22 15.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.853 -0.612 . . . . 3.37 111.135 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -134.86 155.38 50.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 3.86 110.802 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.597 ' HE3' ' H ' ' A' ' 105' ' ' SER . 45.0 tttp -122.71 148.85 44.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 2.57 110.439 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -91.96 166.72 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.884 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 148' ' ' LYS . . . -73.82 -43.91 57.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.278 . . . . 1.72 111.091 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.13 177.28 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.424 . . . . 1.55 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 44.3 mt-10 -150.73 136.58 18.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.486 -0.324 . . . . 2.4 110.918 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.801 HD21 ' HB ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -86.74 147.99 25.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 2.07 110.616 179.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.541 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.6 m170 -96.14 121.87 38.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.133 -0.485 . . . . 1.71 111.321 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 5.1 mp -114.52 105.28 12.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 2.51 110.985 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 114.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 1.83 111.205 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -131.78 136.85 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 2.43 110.963 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -106.29 152.97 22.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.945 0.403 . . . . 3.95 110.794 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.452 HD21 ' HB3' ' A' ' 126' ' ' LYS . 52.8 t30 -68.71 117.12 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 2.19 111.169 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.481 HG21 ' HD2' ' A' ' 89' ' ' ARG . 80.8 p -79.33 -14.43 58.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.859 -0.61 . . . . 1.77 111.418 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.452 ' HB3' HD21 ' A' ' 124' ' ' ASN . 28.6 tptp -51.34 -35.86 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 3.65 111.154 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -78.08 -27.19 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 4.38 110.832 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.64 85.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 2.22 112.537 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -140.09 142.08 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.375 . . . . 3.07 110.82 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -73.45 -24.97 60.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 3.08 111.08 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.89 -21.98 78.87 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.921 -0.657 . . . . 2.36 112.185 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -83.92 -42.64 16.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 3.63 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.31 94.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.73 110.723 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.74 -22.4 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 2.3 111.246 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -72.47 -24.44 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 3.84 110.782 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -102.8 126.01 33.93 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.22 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.88 -29.86 88.93 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.49 2.127 . . . . 2.44 112.296 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.18 22.34 16.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 2.64 110.644 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -100.41 -16.05 28.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 1.49 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.6 pt? -134.27 133.65 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 1.76 110.801 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.67 149.25 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.98 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.68 118.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 1.3 111.071 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 120' ' ' LEU . 52.1 mt -85.97 144.17 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 2.1 110.547 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 210' ' ' VAL . . . -134.05 117.28 1.81 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.645 -0.788 . . . . 1.4 112.719 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.801 ' HB ' HD21 ' A' ' 118' ' ' LEU . 10.8 mt -115.77 135.06 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.379 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.577 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 29.5 m-85 -69.51 152.88 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 4.48 110.95 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 118' ' ' LEU . 77.5 mt -137.76 71.96 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 3.25 110.633 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 60.6 pttt -112.36 143.11 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 4.32 110.622 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 217' ' ' VAL . 11.7 m -56.34 122.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.279 -0.419 . . . . 3.13 111.431 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.9 153.03 18.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.592 . . . . 3.15 112.051 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.6 t 60.49 94.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 3.85 110.627 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.05 3.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 3.82 111.458 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 157' ' ' GLN . 25.5 ttpp -59.09 116.77 17.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 5.19 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -61.18 -18.03 55.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.49 2.127 . . . . 3.09 112.236 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.477 ' H ' ' HG2' ' A' ' 153' ' ' LYS . . . 122.33 61.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.921 -0.657 . . . . 2.71 112.291 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.3 tp -145.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 3.94 110.682 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.505 ' HB3' ' HE2' ' A' ' 153' ' ' LYS . 10.8 pt20 -62.36 -31.74 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 3.55 111.351 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.63 -36.22 56.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 4.82 111.291 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.55 -27.76 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 3.12 111.282 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.485 HG12 HD23 ' A' ' 163' ' ' LEU . 62.0 t -66.15 -24.78 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 3.14 111.189 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.85 -19.34 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 3.01 111.356 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.8 -17.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 2.46 111.718 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.485 HD23 HG12 ' A' ' 160' ' ' VAL . 4.0 pp -61.57 -24.67 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 2.31 111.021 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.56 -12.57 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.495 . . . . 2.42 110.9 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.0 m -65.89 -26.15 67.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 1.85 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.446 ' HB ' HD21 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -125.66 48.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 2.44 110.547 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -52.03 -47.21 65.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.73 -0.668 . . . . 3.75 111.322 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.0 p -117.69 149.41 40.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 2.36 111.279 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -79.17 146.21 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.507 . . . . 3.46 110.654 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 105.99 -17.03 42.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.871 -0.681 . . . . 2.2 112.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -109.59 149.69 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 3.33 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.456 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 86.6 p -103.58 165.04 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 2.27 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -152.9 140.24 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.89 111.099 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.0 129.46 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 3.74 110.762 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -139.93 109.25 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 4.47 111.044 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.9 t -136.46 179.6 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.04 -0.527 . . . . 4.59 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.73 57.17 1.81 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.962 0.41 . . . . 6.35 111.255 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 70.8 t80 -90.92 145.24 24.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 4.67 110.571 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.04 81.28 4.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 3.92 111.092 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.57 -10.1 15.92 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.53 2.153 . . . . 4.59 112.36 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.95 -20.07 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 8.64 110.818 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -90.6 -31.36 10.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 3.43 112.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.67 18.53 11.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.539 0.209 . . . . 5.71 111.294 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.25 139.51 91.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.662 -0.244 . . . . 4.53 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.32 131.8 6.77 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.521 2.147 . . . . 3.71 112.324 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.92 -7.4 59.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 6.38 110.906 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.0 m 59.94 32.02 20.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 5.07 110.932 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 188' ' ' LEU . 2.6 pt? -57.21 -30.46 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 4.32 111.125 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.556 ' HA ' ' HA ' ' A' ' 259' ' ' PHE . 3.3 p30 -150.82 149.46 29.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.444 -0.344 . . . . 3.78 110.964 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -140.5 140.35 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 3.36 110.728 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 257' ' ' ALA . 28.2 m95 -133.18 142.16 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 4.16 110.455 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 257' ' ' ALA . 8.8 t -153.16 139.9 18.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.859 0.361 . . . . 1.5 111.453 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -158.38 73.11 3.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 2.91 110.704 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.484 ' HA ' HG23 ' A' ' 207' ' ' THR . 10.9 Cg_endo -54.06 147.93 41.6 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.869 2.379 . . . . 1.48 112.836 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 174.3 -119.4 0.73 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.87 -0.681 . . . . 1.64 112.298 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . 0.564 ' HA ' HG23 ' A' ' 206' ' ' VAL . 85.3 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.651 0.262 . . . . 2.75 110.699 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.992 0.425 . . . . 5.02 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.84 41.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 3.98 109.898 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -68.82 -2.06 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.738 -0.664 . . . . 2.48 111.089 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 196' ' ' SER . 2.7 m -112.43 111.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 1.8 111.06 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.484 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.8 m -112.97 130.05 56.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 1.27 110.813 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -109.69 111.89 23.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 2.43 110.741 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -130.85 134.96 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 1.45 110.88 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 35.9 t -76.09 106.89 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 2.12 111.29 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 145' ' ' ILE . 29.0 tp -62.76 161.63 12.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 3.85 110.625 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -77.5 -6.82 54.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 5.85 111.818 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 14.4 mm-40 -58.07 154.62 28.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.625 0.25 . . . . 5.91 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 164.22 33.58 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.708 2.272 . . . . 3.58 112.579 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' A' ' 146' ' ' PHE . 47.8 pt -84.54 171.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.545 . . . . 4.42 111.246 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 36.9 t -58.3 173.04 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 3.53 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 149' ' ' VAL . 33.4 m -99.48 173.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 2.45 111.13 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 69.5 m -62.43 161.5 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 3.39 111.233 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.2 p -63.42 -13.32 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 2.82 110.79 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.83 -43.18 90.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 4.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.31 -19.8 42.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 3.92 110.422 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.92 -17.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 2.44 110.398 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.55 -20.08 59.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 2.8 110.371 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 3.0 mptp? -85.43 -27.75 25.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 3.78 111.007 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.72 11.75 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 3.33 111.191 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -74.88 -26.95 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 4.82 111.233 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' A' ' 163' ' ' LEU . 7.9 ptpp? -69.1 -4.97 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 3.25 111.16 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.62 160.4 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 2.93 110.62 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -95.95 164.34 12.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 2.92 111.058 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 47.3 p90 -97.63 3.56 50.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 5.3 110.925 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 31.9 t30 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 4.3 111.045 -179.518 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.802 0.334 . . . . 5.11 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.403 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 53.8 ttp -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.228 -0.442 . . . . 5.21 110.62 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 17.2 m -141.41 -178.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 3.44 111.511 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 63.56 35.83 11.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.835 -0.62 . . . . 3.67 110.895 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.519 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 18.5 m120 -100.84 55.33 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 3.74 111.154 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -110.87 137.75 48.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 3.25 110.741 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -135.44 97.5 13.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 3.78 111.351 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.88 138.31 62.48 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.602 2.201 . . . . 2.43 111.959 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.16 40.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.341 -0.391 . . . . 3.18 111.383 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 57.1 tp60 -90.46 117.36 67.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.476 -0.329 . . . . 5.35 111.247 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.611 ' HG2' HD22 ' A' ' 252' ' ' ASN . 86.8 Cg_endo -78.45 140.9 17.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.523 2.149 . . . . 4.02 112.448 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 37.7 tp -79.94 -8.61 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 3.94 110.638 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.69 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.536 . . . . 6.83 111.489 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . 0.611 HD22 ' HG2' ' A' ' 249' ' ' PRO . 10.2 p30 -59.29 147.81 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 5.02 111.044 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -140.19 -58.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.021 -0.536 . . . . 5.82 110.683 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -105.94 117.37 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 3.22 110.478 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.499 HG22 ' H ' ' A' ' 257' ' ' ALA . 19.2 mm -64.01 145.61 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 2.02 111.033 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -93.44 19.2 8.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 2.91 111.261 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -164.44 167.69 19.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 1.46 111.326 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 50.2 m -158.23 -49.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 2.32 110.648 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 189' ' ' ASP . 97.3 m-85 -132.72 175.67 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.944 -0.571 . . . . 3.3 110.889 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.137 -0.935 . . . . 4.59 110.933 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.547 0.213 . . . . 3.57 110.831 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.32 128.91 30.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.471 2.114 . . . . 2.88 111.977 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.1 p -123.99 176.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 2.26 110.938 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' VAL . 14.7 m-20 -82.27 98.73 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 2.44 110.136 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.2 mp -60.18 118.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 1.53 111.287 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.8 m-20 -108.3 129.34 55.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.51 110.829 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 m -79.82 -23.46 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.809 -0.632 . . . . 1.95 111.143 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -79.27 -36.58 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 3.43 111.163 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 34' ' ' ASP . 5.5 t -76.61 -22.03 54.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 1.73 110.999 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HA ' HE22 ' A' ' 254' ' ' GLN . . . -55.26 149.08 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 1.29 111.016 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.22 143.7 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 3.53 110.84 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.478 ' N ' ' HA ' ' A' ' 260' ' ' LYS . 40.4 p90 -69.59 131.99 45.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 4.17 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -129.98 90.81 41.44 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 3.04 111.082 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -84.33 44.09 1.46 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.534 2.156 . . . . 2.3 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -85.77 -43.05 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 3.07 111.045 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 mt -136.92 114.92 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 3.08 110.985 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -100.22 140.42 21.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 4.28 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.85 125.86 17.02 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.486 2.124 . . . . 2.41 112.048 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 52.4 tp -80.61 -61.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.24 111.291 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -134.52 148.53 50.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 2.67 111.295 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -146.06 113.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.795 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 t -107.14 111.11 23.39 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.479 -0.328 . . . . 2.58 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 81.7 m-85 60.66 113.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.025 0.44 . . . . 4.87 111.296 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.68 -9.91 59.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 4.17 110.806 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -147.35 126.29 12.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 4.62 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.33 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 1.97 111.018 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -90.37 141.89 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 1.9 111.088 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 99.4 p -99.69 159.63 14.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 1.87 111.038 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -124.79 -39.24 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 3.58 111.282 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -165.64 146.59 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 4.62 110.884 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mp -109.88 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 1.72 110.78 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 tp -112.01 150.57 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.58 110.962 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.88 162.91 15.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 1.94 111.026 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.463 HD21 ' HB3' ' A' ' 65' ' ' ALA . 32.2 p30 -106.63 12.18 29.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 3.13 111.294 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.24 26.93 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.571 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' N ' ' HG2' ' A' ' 169' ' ' LYS . 78.2 t60 -176.72 -54.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 4.34 110.582 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 62' ' ' ASN . . . -89.97 162.25 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 2.12 110.711 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -140.56 133.87 29.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 3.39 111.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -133.36 153.27 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 2.57 110.267 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.597 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.9 t -97.0 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 1.95 111.334 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -70.48 141.5 52.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 3.84 111.123 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.34 152.51 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 4.12 110.674 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.46 146.6 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 3.04 111.007 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.79 26.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 3.88 111.098 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 t -88.49 -44.89 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 3.2 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 76' ' ' LYS . 23.6 pt20 -168.93 -174.72 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 4.06 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.14 -18.53 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 2.84 110.717 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 74' ' ' GLN . 73.7 mmtt 64.56 -81.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.692 -0.686 . . . . 3.26 111.717 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 51' ' ' TYR . . . -111.9 120.31 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 1.42 111.844 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.99 136.33 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 1.72 110.507 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 90' ' ' LEU . 7.2 mp -118.14 131.23 56.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.102 0.477 . . . . 2.3 111.656 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HA ' HD23 ' A' ' 84' ' ' LEU . 53.4 pttt -159.69 128.93 5.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.802 -0.636 . . . . 2.67 110.542 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . -170.71 -154.84 9.88 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.224 -0.989 . . . . 2.5 113.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.49 -63.08 2.29 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.994 -0.622 . . . . 2.63 113.015 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.92 -11.62 10.22 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.546 2.164 . . . . 4.13 112.402 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 80' ' ' LYS . 14.3 tp -91.8 150.3 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 3.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -83.64 12.64 5.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 5.04 111.665 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.75 -141.01 8.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.498 -0.858 . . . . 1.92 112.835 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -119.82 116.1 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.803 0.335 . . . . 1.68 110.962 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.443 ' HB3' ' ND1' ' A' ' 122' ' ' HIS . 71.0 m-85 -112.45 128.69 56.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.295 -0.411 . . . . 3.43 110.887 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -103.53 124.84 49.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 3.79 111.268 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 122' ' ' HIS . 4.7 mp -84.36 143.06 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 2.52 110.061 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.72 -45.04 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.565 0.58 . . . . 2.47 112.565 -179.011 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.438 ' N ' HG12 ' A' ' 91' ' ' ILE . 13.9 pt20 -151.23 161.91 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 2.41 111.691 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.736 ' HB3' HD13 ' A' ' 120' ' ' LEU . 10.2 p90 -142.79 174.99 10.16 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.993 -0.548 . . . . 1.57 110.502 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -145.83 169.41 18.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 1.29 111.004 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -109.97 148.95 30.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.313 -0.403 . . . . 3.19 110.913 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -110.87 123.96 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.058 -0.519 . . . . 1.68 110.68 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.566 ' H ' HD22 ' A' ' 243' ' ' ASN . 16.6 m0 -122.04 120.4 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 5.75 110.765 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.0 -176.24 17.42 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.704 -0.76 . . . . 3.04 112.465 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -82.75 -25.79 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 4.29 110.963 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.18 146.19 24.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 5.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.45 16.67 5.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.182 -0.463 . . . . 5.33 111.014 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.57 -40.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 4.18 112.355 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -163.33 162.02 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 4.67 111.029 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.465 ' HA2' ' HD3' ' A' ' 113' ' ' LYS . . . 136.57 75.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.817 -0.706 . . . . 1.95 112.575 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.7 p -87.68 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 2.04 110.656 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 179.55 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.906 -0.588 . . . . 2.64 110.213 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -105.1 166.76 10.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.025 -0.534 . . . . 2.11 109.973 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 113' ' ' LYS . 63.8 p -112.12 119.17 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 1.88 111.598 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.55 135.24 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 2.24 110.372 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.9 t70 53.61 40.48 31.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.072 0.463 . . . . 2.18 110.11 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 58.7 25.2 13.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.824 -0.626 . . . . 3.37 111.306 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -129.54 150.0 51.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 3.86 111.082 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HB2' HG22 ' A' ' 108' ' ' THR . 22.5 ttmm -127.3 150.87 49.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 2.57 110.788 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -113.96 175.44 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 2.18 110.685 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.64 -47.43 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.72 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.08 162.47 35.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.574 . . . . 1.55 110.719 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.57 152.54 31.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 2.4 111.129 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.3 mt -86.42 148.12 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 2.07 110.747 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -132.13 95.52 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 1.71 110.738 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 93' ' ' PHE . 4.2 mm? -79.34 122.13 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 2.51 110.781 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.82 114.44 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 1.83 111.086 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . 19.1 p80 -131.85 -178.28 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.036 -0.529 . . . . 2.43 110.573 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -174.23 152.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 3.95 110.925 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.2 124.79 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.619 . . . . 2.19 110.923 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -71.49 -14.52 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.641 . . . . 1.77 110.903 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -58.47 -25.69 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 3.65 110.879 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.05 -27.91 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 4.38 110.805 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.85 -30.66 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.858 -0.687 . . . . 2.22 112.553 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -153.66 151.56 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 3.07 110.837 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -63.67 -19.66 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 3.08 111.199 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.79 -42.63 99.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 2.36 112.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.34 -17.36 30.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 3.63 110.511 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.32 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 1.73 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.85 -6.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 2.3 111.438 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -72.3 -12.25 61.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 3.84 110.708 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.431 ' HG3' ' HD2' ' A' ' 137' ' ' PRO . 33.5 tt0 -132.01 139.91 36.5 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.135 -0.484 . . . . 3.22 110.98 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.431 ' HD2' ' HG3' ' A' ' 136' ' ' GLN . 51.1 Cg_exo -52.69 -51.77 10.37 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.27 1.98 . . . . 2.44 112.118 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -90.33 15.47 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 2.64 110.648 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.56 -47.12 92.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.811 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -127.39 133.52 50.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 1.76 111.169 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.56 157.03 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.98 110.815 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.75 130.89 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 1.3 111.455 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' A' ' 211' ' ' LEU . 54.5 tp -85.77 131.24 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 2.1 110.433 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 129.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.622 -0.799 . . . . 1.4 113.013 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 64.0 mt -122.81 132.87 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.689 0.28 . . . . 1.53 110.421 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.69 116.68 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 4.48 111.218 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.473 HD11 ' HG ' ' A' ' 118' ' ' LEU . 84.5 mt -84.77 143.15 29.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 3.25 110.685 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.427 ' H ' ' HA ' ' A' ' 216' ' ' SER . 61.2 tttp -112.49 134.6 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 4.32 110.719 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 133.17 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.403 . . . . 3.13 111.211 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 145.6 53.68 0.02 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.484 -0.865 . . . . 3.15 113.049 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 t 57.21 94.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.887 0.375 . . . . 3.85 111.39 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -82.87 -73.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 3.82 111.235 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -111.49 154.41 43.82 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.269 -0.423 . . . . 5.19 111.097 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.71 -0.1 8.61 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.531 2.154 . . . . 3.09 111.887 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -119.5 23.65 8.37 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.299 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 221' ' ' GLN . 2.5 pt? -56.52 -15.03 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.708 0.289 . . . . 3.94 111.405 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -54.37 -40.57 68.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 3.55 111.433 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -58.74 -31.16 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 4.82 110.927 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 80.1 t -79.71 -29.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 3.12 111.223 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.53 -29.94 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 3.14 111.057 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -74.39 -33.4 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 3.01 110.728 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.415 HG21 ' HB ' ' A' ' 176' ' ' THR . 38.8 t -61.86 -28.37 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.46 110.846 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 164' ' ' ASP . 0.3 OUTLIER -75.93 -41.97 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 2.31 111.21 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.432 ' N ' HD23 ' A' ' 163' ' ' LEU . 30.3 t70 -54.04 -17.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 2.42 110.68 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 51.5 m -85.84 -43.34 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 1.85 110.687 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 173' ' ' ALA . 8.6 pt -96.36 43.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 2.44 111.537 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.75 -43.62 94.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 3.75 110.682 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 39.3 p -129.85 158.61 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 2.36 111.117 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -63.65 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 3.46 110.998 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.36 -20.98 20.39 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.828 -0.701 . . . . 2.2 112.819 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -109.19 141.54 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 3.33 110.995 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 89.1 p -101.3 149.89 23.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 2.27 111.093 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -105.51 176.75 5.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 1.89 110.918 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.81 157.65 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 3.74 111.045 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -52.22 137.29 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 4.47 111.082 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 162' ' ' VAL . 15.4 t -141.65 -172.95 3.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 4.59 110.727 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 54.98 52.74 11.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.446 -0.343 . . . . 6.35 111.008 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -109.0 109.46 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 4.67 110.76 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.27 85.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 3.92 111.061 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.32 -8.74 15.36 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.452 2.101 . . . . 4.59 112.162 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -74.52 -26.23 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.72 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -81.88 3.68 78.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 3.43 112.837 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.51 11.06 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 5.71 110.943 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 185' ' ' PRO . 33.0 tp -82.79 123.65 77.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 4.53 110.744 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . 0.587 ' HD2' HD12 ' A' ' 184' ' ' LEU . 57.8 Cg_endo -71.23 131.14 18.63 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.233 1.956 . . . . 3.71 112.169 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.55 -7.37 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 6.38 111.14 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 56.0 m 59.18 21.98 10.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.072 -0.513 . . . . 5.07 111.16 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.43 ' H ' ' HD2' ' A' ' 212' ' ' LYS . 22.3 tp -83.51 155.04 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 4.32 110.697 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 259' ' ' PHE . 11.2 m-20 -92.25 150.35 20.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.776 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.44 ' N ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.68 145.1 3.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 3.36 110.907 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.478 ' HB2' ' N ' ' A' ' 258' ' ' SER . 0.1 OUTLIER -126.19 175.99 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 4.16 110.406 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.9 t -118.88 142.86 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 1.5 111.426 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -115.9 103.46 53.5 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 2.91 110.672 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 207' ' ' THR . 56.1 Cg_endo -68.48 131.17 22.49 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.407 2.071 . . . . 1.48 112.262 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.36 -148.81 5.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.647 -0.787 . . . . 1.64 112.739 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 2.75 110.505 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 203' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.021 0.439 . . . . 5.02 110.975 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -106.31 16.79 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.079 -0.51 . . . . 3.98 110.814 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 72.0 m -106.51 41.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 2.48 109.987 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.12 129.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 1.8 111.469 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 194' ' ' PRO . 18.1 m -111.94 146.04 38.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.637 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -107.94 126.14 52.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.949 0.404 . . . . 2.43 111.285 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.7 mp -124.55 146.78 29.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.94 -0.573 . . . . 1.45 110.855 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.25 131.55 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 2.12 111.133 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 143' ' ' LEU . 75.7 mt -79.96 170.31 16.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 3.85 110.917 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 188' ' ' LEU . 37.0 mtmm -65.25 -54.26 31.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 5.85 110.8 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.08 97.76 6.3 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 5.91 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.05 139.55 56.5 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.613 2.209 . . . . 3.58 112.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.2 pt -68.11 167.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 4.42 111.066 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . 0.427 ' HA ' ' H ' ' A' ' 148' ' ' LYS . 80.4 p -127.12 165.03 20.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 3.53 111.21 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.84 173.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.45 110.96 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 41.8 t -106.01 148.24 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 3.39 111.134 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 84.9 p -65.41 -25.79 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 2.82 110.116 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -80.99 -29.67 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.828 -0.624 . . . . 4.51 110.304 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 156' ' ' LEU . 26.7 tt0 -68.99 -44.47 72.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 3.92 110.483 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.5 -0.6 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 2.44 111.192 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.11 -30.3 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 2.8 110.741 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -86.5 -19.35 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 3.78 111.214 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -72.21 -7.01 46.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 3.33 111.346 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -90.23 -8.8 50.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.375 . . . . 4.82 111.048 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.46 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 3.25 111.73 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.57 162.07 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 2.93 111.136 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.74 159.69 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 2.92 110.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.91 3.32 39.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 5.3 111.117 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 26.7 t-20 . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.468 -0.333 . . . . 4.3 111.345 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.766 0.317 . . . . 5.11 110.706 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.46 119.17 7.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 5.21 110.668 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.42 HG23 ' OD1' ' A' ' 242' ' ' ASP . 35.0 m -106.44 -172.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 3.44 111.446 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 241' ' ' VAL . 12.1 m-20 63.93 30.0 14.33 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.092 -0.504 . . . . 3.67 110.523 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.566 HD22 ' H ' ' A' ' 97' ' ' TRP . 63.0 m-20 -104.61 52.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.811 -0.631 . . . . 3.74 110.791 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -143.96 160.91 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.951 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -130.99 152.91 81.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.542 . . . . 3.78 110.829 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.37 170.8 16.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.465 2.11 . . . . 2.43 112.534 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -154.79 36.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.579 . . . . 3.18 110.603 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.53 119.42 50.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 5.35 110.844 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.52 ' HA ' HG23 ' A' ' 31' ' ' VAL . 72.9 Cg_endo -76.47 128.93 10.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.297 1.998 . . . . 4.02 112.391 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 33.1 tp -78.28 -44.25 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 3.94 110.481 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -148.48 -57.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.648 -0.705 . . . . 6.83 110.552 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.38 -59.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 5.02 110.582 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 62.44 117.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.96 -0.564 . . . . 5.82 111.445 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . 0.561 HE22 ' HA ' ' A' ' 38' ' ' ALA . 49.9 tp60 -104.52 145.79 29.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.579 . . . . 3.22 110.779 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 8.5 tp -97.54 139.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.839 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.41 99.64 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 2.91 111.162 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -126.2 148.54 49.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 1.46 110.77 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 191' ' ' TRP . 41.5 t -71.79 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 2.32 110.756 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 189' ' ' ASP . 87.7 t80 -112.11 144.82 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.3 110.65 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . 0.478 ' HA ' ' N ' ' A' ' 40' ' ' TYR . 61.4 tttm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.228 -0.892 . . . . 4.59 110.796 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 120.547 0.213 . . . . 3.57 111.18 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.85 131.36 25.45 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.697 2.265 . . . . 2.88 112.156 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 249' ' ' PRO . 22.2 t -128.54 164.78 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 2.26 110.537 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' HG12 ' A' ' 31' ' ' VAL . 47.3 m-20 -87.26 98.81 11.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.779 0.323 . . . . 2.44 110.527 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 31' ' ' VAL . 5.3 mp -85.67 142.56 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 1.53 110.917 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' HG22 ' A' ' 37' ' ' THR . 15.4 m-20 -108.84 129.78 55.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 1.51 111.104 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.2 m -71.65 -25.29 62.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.818 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -68.17 -40.83 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 3.43 111.084 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.2 t -79.12 -21.15 47.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.73 110.996 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.43 151.35 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 1.29 110.674 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -141.58 131.18 23.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 3.53 111.451 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -107.02 125.31 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.958 -0.565 . . . . 4.17 110.59 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -122.87 131.41 24.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 3.04 110.824 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.73 41.29 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.453 2.102 . . . . 2.3 112.486 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -83.95 -41.51 17.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 3.07 110.958 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD21 ' HD3' ' A' ' 83' ' ' PRO . 1.4 tt -104.74 132.82 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 3.08 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.3 pttt -60.31 152.47 63.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 4.28 110.921 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 125.86 12.09 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.498 2.132 . . . . 2.41 112.037 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 84' ' ' LEU . 2.6 mt -55.24 132.71 48.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 5.24 110.685 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.6 t -92.89 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 2.67 110.949 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -146.21 143.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.311 -0.404 . . . . 2.44 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -110.18 142.8 41.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.471 . . . . 2.58 110.474 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -168.82 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 4.87 110.828 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.52 -24.92 22.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.961 -0.563 . . . . 4.17 110.366 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -102.19 1.01 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 4.62 110.883 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.36 120.54 5.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.264 -0.426 . . . . 1.97 111.212 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -143.34 132.18 22.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 1.9 111.291 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.3 p -89.88 167.75 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.574 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 tp -120.98 -39.29 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.372 -0.377 . . . . 3.58 111.662 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 16.3 ptp180 -174.69 171.45 3.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 4.62 111.465 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.46 HG12 HG12 ' A' ' 68' ' ' VAL . 55.7 mt -131.76 105.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.681 . . . . 1.72 110.555 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -95.95 157.99 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 2.58 111.521 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -132.97 154.97 49.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.603 . . . . 1.94 110.728 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.93 23.48 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 3.13 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.5 10.52 75.53 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.625 -0.798 . . . . 2.64 112.543 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -149.42 -59.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 4.34 110.609 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.87 161.03 15.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 2.12 110.788 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.65 133.82 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 3.39 111.218 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -133.43 151.5 51.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 2.57 110.666 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' PHE . 14.6 m -117.55 139.79 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 1.95 111.079 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.19 153.14 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.92 0.391 . . . . 3.84 111.426 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -108.73 165.21 11.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 4.12 110.779 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.26 126.3 28.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 3.04 110.695 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -90.69 5.69 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 3.88 110.575 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 m -59.76 -32.06 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 3.2 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -157.18 147.96 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 4.06 110.788 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.56 86.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.607 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 29.9 mmtp -62.92 -72.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 3.26 111.064 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.39 135.18 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.42 111.096 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -135.25 151.43 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 1.72 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -116.25 127.11 54.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.872 0.368 . . . . 2.3 111.368 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -159.34 128.42 5.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 2.67 110.228 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.07 -121.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.278 -0.963 . . . . 2.5 113.366 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.74 -80.0 1.42 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.739 -0.743 . . . . 2.63 113.303 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' HD21 ' A' ' 44' ' ' LEU . 39.6 Cg_endo -65.93 -1.78 5.66 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.764 2.309 . . . . 4.13 112.818 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 47' ' ' LEU . 8.0 mp -64.71 134.16 53.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.317 . . . . 3.0 110.81 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.84 -12.88 40.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 5.04 111.228 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.63 -127.51 1.75 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.578 -0.82 . . . . 1.92 112.784 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -112.23 130.49 55.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.68 111.384 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.09 134.67 54.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 3.43 110.732 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -103.44 152.89 21.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 3.79 111.09 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 6.5 mp -89.45 139.69 30.27 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.153 -0.476 . . . . 2.52 110.757 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -114.01 -80.72 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.323 -0.399 . . . . 2.47 111.436 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -153.16 163.94 38.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.566 0.222 . . . . 2.41 110.868 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' O ' HG22 ' A' ' 68' ' ' VAL . 45.3 p90 -157.42 156.21 31.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 1.57 111.626 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 5.6 p-80 -130.78 167.89 18.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.532 -0.758 . . . . 1.29 110.322 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -112.54 144.78 41.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.309 . . . . 3.19 111.112 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -94.92 173.18 7.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.287 -0.415 . . . . 1.68 110.52 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.571 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 93.2 m95 -133.05 166.31 22.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.831 0.348 . . . . 5.75 111.102 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.14 129.93 2.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.02 -0.609 . . . . 3.04 112.511 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.8 t -76.15 -34.79 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 4.29 111.025 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . 47.8 mt -103.37 141.89 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 5.2 111.069 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.3 -0.06 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 5.33 110.687 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.5 -11.3 51.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.841 -0.695 . . . . 4.18 111.829 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 10.8 pt20 -144.94 171.63 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.603 0.24 . . . . 4.67 110.612 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.24 -44.2 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.482 -0.866 . . . . 1.95 112.874 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.7 m -96.06 -169.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 2.04 111.238 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -93.35 -79.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 2.64 111.123 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.02 163.71 27.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 2.11 110.768 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.466 HG22 ' HG3' ' A' ' 113' ' ' LYS . 29.6 p -133.09 149.43 52.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 1.88 111.527 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.84 145.72 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 2.24 110.767 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.9 t70 53.38 34.41 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.841 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 61.61 25.3 15.24 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.029 -0.532 . . . . 3.37 111.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -134.91 125.61 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.322 -0.399 . . . . 3.86 110.846 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.4 ttmp? -88.89 147.18 24.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 2.57 110.83 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HD1' ' HB3' ' A' ' 148' ' ' LYS . 95.6 m-85 -77.04 166.02 23.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 2.18 111.063 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.54 40.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.107 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -171.55 169.18 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 1.55 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HA ' ' HG ' ' A' ' 147' ' ' LEU . 53.6 tt0 -153.02 145.63 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 2.4 110.989 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.507 HD21 ' HB ' ' A' ' 145' ' ' ILE . 4.4 pp -86.88 147.55 25.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.742 0.306 . . . . 2.07 110.715 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.464 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -110.67 95.01 5.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.71 111.087 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 121' ' ' VAL . 1.6 tt -107.46 129.73 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.997 -0.372 . . . . 2.51 109.997 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.526 ' N ' HD23 ' A' ' 120' ' ' LEU . 25.1 m -104.83 141.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 1.83 111.738 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.501 ' ND1' HD23 ' A' ' 143' ' ' LEU . 35.7 m80 -127.63 150.72 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 2.43 109.964 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -158.89 130.46 6.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 3.95 111.232 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 55.9 t30 -69.93 126.28 29.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.838 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 t -73.55 -15.06 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 1.77 111.818 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 17.3 tppt? -57.84 -28.04 63.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 3.65 111.045 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -78.06 -25.64 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 4.38 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.9 -36.48 2.69 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.794 -0.717 . . . . 2.22 112.743 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -139.96 143.98 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 3.07 110.891 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 134' ' ' VAL . 47.3 p90 -64.74 -24.09 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 3.08 110.96 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -68.91 -26.51 74.59 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.71 -0.757 . . . . 2.36 112.469 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.3 -32.96 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 3.63 110.771 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.73 111.62 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 130' ' ' PHE . 23.8 m -60.95 -17.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 2.3 111.434 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -72.13 -7.21 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 3.84 110.762 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -116.27 135.95 22.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.644 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.46 -26.97 83.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.474 2.116 . . . . 2.44 112.203 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.39 20.2 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 2.64 111.183 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.11 -77.95 0.17 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.676 -0.773 . . . . 1.49 112.548 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.699 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.4 pt? -102.33 148.25 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.704 0.288 . . . . 1.76 110.53 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.31 159.99 26.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.98 111.307 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 111.59 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.3 111.114 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.716 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.0 mm? -89.87 121.23 31.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 2.1 110.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.19 134.95 7.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 1.4 112.679 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.507 ' HB ' HD21 ' A' ' 118' ' ' LEU . 62.2 mt -108.32 117.48 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 1.53 110.852 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.33 96.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 4.48 111.056 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 216' ' ' SER . 74.7 mt -61.94 133.51 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 3.25 110.944 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.45 ' HB3' ' HD1' ' A' ' 114' ' ' TYR . 13.9 ptmm? -143.01 168.48 19.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.936 0.398 . . . . 4.32 111.281 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 218' ' ' SER . 92.7 t -79.08 116.41 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.947 -0.57 . . . . 3.13 110.885 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.87 -142.34 7.81 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.558 -0.829 . . . . 3.15 112.802 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m -96.53 -1.93 46.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 3.85 110.927 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . 63.07 171.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.905 -0.588 . . . . 3.82 111.846 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 20.8 ttmm -112.61 127.47 26.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.814 -0.63 . . . . 5.19 110.921 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.75 -26.07 16.4 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.323 2.015 . . . . 3.09 112.3 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.25 65.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 2.71 112.533 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 39.3 tp -68.31 -5.68 19.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 3.94 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -53.58 -27.12 24.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.312 -0.404 . . . . 3.55 110.82 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -59.45 -39.07 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 4.82 110.365 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 96.7 t -79.89 -29.28 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 3.12 110.701 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.79 -36.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 3.14 110.816 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.31 -43.19 86.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.055 -0.521 . . . . 3.01 110.501 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.9 -31.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 2.46 110.679 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -35.51 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 2.31 111.188 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.29 -12.7 1.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 2.42 110.866 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.3 t -92.1 -34.08 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 1.85 111.278 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 166' ' ' ILE . 4.1 mp -100.13 51.26 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.22 0.534 . . . . 2.44 110.722 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.65 -47.48 39.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 3.75 110.828 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 62.2 p -104.71 147.34 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 2.36 111.18 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.439 ' HB2' ' NZ ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.57 147.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 3.46 110.61 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.37 27.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.843 -0.694 . . . . 2.2 112.377 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.84 174.83 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 3.33 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 54.0 m -126.74 163.68 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 2.27 110.753 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -162.03 132.23 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 1.89 111.014 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.33 124.49 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 3.74 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.411 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 67.4 t80 -138.62 105.0 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 4.47 110.77 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.7 t -124.76 -178.02 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 4.59 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.67 57.11 3.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 6.35 111.113 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -80.63 148.9 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 4.67 110.711 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -106.35 93.25 7.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 3.92 110.944 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.59 -8.07 20.14 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 4.59 112.576 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 41.2 ttm180 -71.94 -16.17 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 8.64 110.777 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -92.36 0.68 71.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.65 -0.786 . . . . 3.43 112.506 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.59 18.57 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 5.71 110.986 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 181' ' ' ARG . 96.1 mt -57.18 133.31 80.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 4.53 110.886 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.81 128.01 11.29 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.504 2.136 . . . . 3.71 112.29 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.31 -16.1 50.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 6.38 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.0 t -129.2 154.53 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 5.07 111.111 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 94.6 mt -111.87 67.35 0.65 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 4.32 110.785 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.35 154.24 40.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 3.78 110.832 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -154.67 167.35 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 3.36 110.566 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -120.54 139.2 53.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 4.16 110.568 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -120.7 147.39 45.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.377 -0.374 . . . . 1.5 111.096 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -167.03 87.67 0.79 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 2.91 110.994 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.542 ' HA ' HG23 ' A' ' 207' ' ' THR . 94.2 Cg_endo -77.84 136.17 14.82 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.439 2.093 . . . . 1.48 111.851 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.99 -140.44 2.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.234 -0.984 . . . . 1.64 113.118 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 120.549 0.214 . . . . 2.75 110.656 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.788 0.327 . . . . 5.02 111.1 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.6 16.95 21.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.528 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 31.6 p -78.79 2.0 21.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 2.48 110.456 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 122.93 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.715 -0.675 . . . . 1.8 110.74 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.4 m -113.01 140.52 47.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 1.27 111.155 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -106.25 108.59 20.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 2.43 110.72 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.716 ' HB ' HD13 ' A' ' 143' ' ' LEU . 3.2 mp -120.03 161.64 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 1.45 110.558 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 209' ' ' ILE . 36.6 t -123.36 104.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 2.12 111.229 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.441 ' HB2' HG12 ' A' ' 145' ' ' ILE . 76.9 mt -54.4 138.55 39.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.999 -0.546 . . . . 3.85 111.046 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -70.54 -6.68 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 5.85 110.74 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 214' ' ' PRO . 12.8 mm-40 -58.36 162.3 6.31 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.07 -0.514 . . . . 5.91 111.268 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 213' ' ' GLU . 78.3 Cg_exo -51.27 173.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.801 2.334 . . . . 3.58 112.938 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . 0.778 ' H ' HD13 ' A' ' 215' ' ' ILE . 0.2 OUTLIER -118.29 172.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.879 -0.601 . . . . 4.42 111.307 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' A' ' 147' ' ' LEU . 42.1 t -50.96 172.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.087 0.47 . . . . 3.53 111.649 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 152' ' ' ALA . 17.6 m -99.05 177.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 2.45 111.499 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.525 ' HA ' HG13 ' A' ' 149' ' ' VAL . 39.0 t -62.32 164.68 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 3.39 111.216 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 222' ' ' VAL . 84.2 p -74.39 -27.25 60.55 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.923 -0.58 . . . . 2.82 110.834 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.31 -21.02 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 4.51 110.638 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -85.03 -34.34 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 3.92 110.865 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 219' ' ' SER . 33.7 m -80.75 27.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.412 . . . . 2.44 110.97 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.3 tp -70.75 -30.63 67.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 2.8 109.91 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -85.48 -17.83 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.592 -0.731 . . . . 3.78 110.373 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -86.12 -36.84 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.862 -0.608 . . . . 3.33 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 223' ' ' LEU . 13.0 ptp180 -65.32 -14.02 59.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 4.82 110.769 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.64 -7.96 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 3.25 111.083 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.24 162.23 20.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 2.93 110.753 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -119.7 140.58 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 2.92 111.122 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.415 ' HA ' ' SD ' ' A' ' 240' ' ' MET . 38.2 t80 -55.81 -45.1 78.37 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 5.3 110.336 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 18.6 m120 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.829 -0.623 . . . . 4.3 110.626 179.614 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.2 mp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.764 0.316 . . . . 5.11 111.145 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 230' ' ' PHE . 14.8 tpt -78.74 87.82 4.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 5.21 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.3 p -162.9 110.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 3.44 111.431 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 21.7 t70 179.91 41.0 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.157 -0.474 . . . . 3.67 110.692 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.571 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 32.4 m-80 -117.21 54.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 3.74 111.35 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -110.16 159.82 17.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 3.25 110.824 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -140.75 157.69 67.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 3.78 111.189 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.63 173.06 3.06 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.475 2.117 . . . . 2.43 112.236 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.58 38.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 3.18 110.983 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.25 142.08 97.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 5.35 110.579 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.571 ' HA ' HG13 ' A' ' 31' ' ' VAL . 86.1 Cg_endo -82.92 123.38 3.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.307 2.005 . . . . 4.02 112.797 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.47 -48.47 12.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 3.94 110.418 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -171.57 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.674 -0.694 . . . . 6.83 111.018 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.04 91.61 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.356 -0.384 . . . . 5.02 110.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -95.17 -57.68 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 5.82 111.231 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -158.06 132.07 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.343 . . . . 3.22 111.271 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 6.5 tp -116.4 136.32 53.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.178 -0.465 . . . . 2.02 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -106.41 140.98 38.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.399 . . . . 2.91 110.951 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.29 167.5 19.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 1.46 111.056 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 34.8 t -97.18 18.15 15.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 2.32 110.721 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -114.83 136.78 52.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.795 -0.639 . . . . 3.3 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.268 -0.872 . . . . 4.59 110.791 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.591 0.234 . . . . 3.57 110.712 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.73 125.43 15.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.578 2.185 . . . . 2.88 112.387 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -131.44 140.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.093 -0.503 . . . . 2.26 110.987 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.58 133.84 53.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.0 -0.545 . . . . 2.44 110.931 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.6 mp -98.87 131.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 1.53 110.885 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG22 ' A' ' 37' ' ' THR . 6.4 m-20 -102.84 129.27 49.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.06 0.457 . . . . 1.51 111.182 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 m -80.11 -15.73 56.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.626 . . . . 1.95 110.275 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -83.21 -35.6 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.518 -0.764 . . . . 3.43 111.307 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.0 t -74.43 -14.95 60.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 1.73 111.156 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.55 156.98 24.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 1.29 110.953 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.61 145.74 45.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.526 -0.306 . . . . 3.53 110.789 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -101.65 107.48 18.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.06 0.457 . . . . 4.17 111.444 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -120.73 120.64 29.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 3.04 110.472 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.78 86.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.323 2.015 . . . . 2.3 112.605 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -89.71 -45.64 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.354 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 ' HA3' ' A' ' 81' ' ' GLY . 37.4 tp -141.68 131.41 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.792 -0.64 . . . . 3.08 110.288 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -108.32 155.35 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 4.28 111.142 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.08 125.7 12.83 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.137 1.891 . . . . 2.41 111.816 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.432 HD23 ' HE2' ' A' ' 80' ' ' LYS . 47.6 tp -112.42 -56.44 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 5.24 110.818 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 m -135.49 137.71 42.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 2.67 110.999 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 HD12 ' A' ' 79' ' ' LEU . 4.6 m -142.92 124.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 2.44 111.308 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m -113.78 145.87 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 2.58 111.061 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -179.61 40.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.959 -0.564 . . . . 4.87 110.66 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.75 -31.7 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.895 -0.593 . . . . 4.17 110.739 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.86 4.4 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 4.62 110.835 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.42 120.33 8.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 1.97 111.473 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 57' ' ' LEU . 48.8 m -139.65 135.41 33.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.338 -0.392 . . . . 1.9 111.03 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -134.48 31.38 3.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.494 . . . . 1.87 111.046 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 175' ' ' PHE . 7.4 mp -94.46 -2.44 51.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 3.58 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -116.4 123.71 48.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 4.62 110.848 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.735 ' HB ' HD12 ' A' ' 166' ' ' ILE . 76.0 mt -131.24 103.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.72 111.053 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -113.21 140.09 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 2.58 110.534 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -108.74 167.55 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 1.94 111.301 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.61 17.0 23.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 3.13 111.516 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.94 14.36 59.43 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.587 -0.816 . . . . 2.64 112.681 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -170.71 -52.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 4.34 111.196 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.23 150.75 24.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 2.12 110.998 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -122.01 143.85 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 3.39 111.103 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -129.67 104.66 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 2.57 110.608 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 15.4 m -107.43 116.67 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.354 . . . . 1.95 111.482 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 9.9 tp10 178.86 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.22 -0.445 . . . . 3.84 110.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.433 ' HB3' ' HD3' ' A' ' 76' ' ' LYS . 27.7 m-85 -129.76 168.49 16.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.344 -0.389 . . . . 4.12 110.717 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 m-20 -64.99 148.89 50.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 3.04 110.46 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.51 14.41 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 3.88 111.151 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.8 p -78.2 -43.52 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 3.2 110.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -167.09 -171.25 1.72 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 4.06 111.156 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.31 144.55 32.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.253 -0.43 . . . . 2.84 110.997 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 14.4 mptt -115.14 -83.0 0.62 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 3.26 111.385 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -103.85 141.31 36.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 1.42 111.567 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 50' ' ' SER . 27.2 m -135.65 167.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 1.72 110.646 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 49' ' ' VAL . 25.8 tp -130.35 138.31 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 2.3 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HE2' HD23 ' A' ' 47' ' ' LEU . 87.6 tttt -140.83 138.28 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.35 -0.387 . . . . 2.67 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.452 ' HA3' HD21 ' A' ' 44' ' ' LEU . . . -96.91 -177.99 34.92 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.847 -0.692 . . . . 2.5 112.522 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.51 -93.53 0.01 OUTLIER Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.874 -0.679 . . . . 2.63 112.757 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD2' HD12 ' A' ' 44' ' ' LEU . 37.2 Cg_endo -65.17 -5.05 10.23 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.554 2.17 . . . . 4.13 112.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' HE1' ' A' ' 88' ' ' TYR . 35.6 tp -78.49 137.58 38.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 3.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 54.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 5.04 110.69 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.16 116.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.888 -0.673 . . . . 1.92 112.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.9 p -83.49 118.36 23.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 1.68 111.22 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.42 ' HE1' HD21 ' A' ' 84' ' ' LEU . 35.6 m-85 -89.69 117.07 28.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 3.43 111.04 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 78' ' ' VAL . 99.0 mtt180 -94.22 141.1 28.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 3.79 110.548 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.2 mt -82.5 132.56 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.86 0.362 . . . . 2.52 110.871 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.49 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 2.47 111.256 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.559 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . 18.6 pt20 -159.77 170.39 21.59 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.715 -0.22 . . . . 2.41 110.933 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -141.61 173.04 11.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 1.57 110.839 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.499 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.2 p-80 -149.8 167.98 25.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.836 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -117.33 162.1 18.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.885 0.374 . . . . 3.19 111.565 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.427 ' HA ' HD22 ' A' ' 243' ' ' ASN . 45.1 m-70 -120.7 166.31 13.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.909 -0.587 . . . . 1.68 110.478 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -171.13 100.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 5.75 110.461 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.594 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -58.73 -178.46 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.889 -0.672 . . . . 3.04 112.829 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -101.13 2.77 40.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 4.29 110.567 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 mt -92.65 145.76 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.855 -0.611 . . . . 5.2 110.899 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 30.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 5.33 110.955 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -145.09 -51.06 0.03 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.575 -0.821 . . . . 4.18 112.603 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.97 176.19 9.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.613 0.244 . . . . 4.67 110.747 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.01 51.22 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.362 -0.923 . . . . 1.95 113.08 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.67 ' H ' ' HE2' ' A' ' 113' ' ' LYS . 42.1 t -107.67 175.44 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.611 0.243 . . . . 2.04 110.7 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.45 ' HG2' ' HB2' ' A' ' 245' ' ' ARG . 41.1 mt-10 -73.3 -83.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.64 110.656 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -103.71 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 2.11 110.249 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.8 p -116.58 116.97 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 1.88 111.653 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.31 143.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 2.24 110.48 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.0 t70 54.75 30.42 13.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.36 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 63.94 25.53 13.96 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.872 -0.604 . . . . 3.37 111.375 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -129.27 146.7 51.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 3.86 111.097 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.67 ' HE2' ' H ' ' A' ' 105' ' ' SER . 75.1 tttt -117.31 150.17 39.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 2.57 110.608 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.46 164.22 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 2.18 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.1 -22.7 23.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.301 -0.409 . . . . 1.72 111.049 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.98 158.48 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.55 110.715 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 11.2 pt-20 -152.46 140.99 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 2.4 111.679 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 66.2 mt -87.01 148.14 25.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.232 -0.44 . . . . 2.07 110.51 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.499 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 2.9 m170 -126.91 100.78 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 1.71 111.234 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 143' ' ' LEU . 5.5 tt -92.38 123.02 35.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.51 110.325 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 142' ' ' VAL . 5.7 m -110.93 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 1.83 111.384 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -116.57 118.25 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 2.43 110.78 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.597 ' HB3' HD12 ' A' ' 140' ' ' LEU . 26.0 m0 -109.19 120.13 41.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.95 110.581 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -55.87 128.28 34.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 2.19 110.727 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -58.93 -14.4 9.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 1.77 111.154 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.87 -14.2 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.703 -0.681 . . . . 3.65 111.458 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 2.3 p90 -77.39 -29.64 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.449 -0.341 . . . . 4.38 111.502 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 2.22 112.347 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.16 172.04 13.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.642 0.258 . . . . 3.07 110.923 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -57.09 -43.61 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 3.08 111.236 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.56 -42.4 57.88 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.859 -0.686 . . . . 2.36 112.718 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 96.7 mttt -83.25 -17.47 42.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 3.63 110.703 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HD1' ' A' ' 127' ' ' TYR . . . -65.38 -50.9 63.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.73 110.609 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -64.0 -22.7 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.841 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -81.79 -24.07 36.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 3.84 110.851 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -117.34 83.37 16.17 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.155 -0.475 . . . . 3.22 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.65 -35.84 98.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.463 2.109 . . . . 2.44 112.5 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.87 25.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 2.64 111.483 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.13 -21.58 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.615 -0.802 . . . . 1.49 112.427 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 123' ' ' TRP . 1.3 mm? -113.2 117.16 31.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.7 0.286 . . . . 1.76 110.645 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -109.07 156.45 19.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.98 111.15 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 209' ' ' ILE . 40.5 t -129.92 113.87 28.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 1.3 111.4 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.508 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 65.1 tp -85.66 144.34 27.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 2.1 110.878 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.76 118.18 2.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 1.4 112.688 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 60.6 mt -102.91 143.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 1.53 110.725 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -121.26 122.1 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.528 -0.305 . . . . 4.48 110.991 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.471 HD11 ' HG ' ' A' ' 118' ' ' LEU . 14.7 mt -105.29 160.83 14.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 3.25 110.885 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -148.1 142.3 26.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 4.32 110.997 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.02 122.38 16.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.317 -0.401 . . . . 3.13 110.94 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.75 -86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 3.15 112.57 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.9 m -154.52 105.97 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 3.85 110.753 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.11 169.99 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 3.82 111.038 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.59 149.22 36.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 5.19 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.485 ' HD2' HH12 ' A' ' 181' ' ' ARG . 50.3 Cg_endo -69.87 -2.68 10.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.534 2.156 . . . . 3.09 112.047 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.97 -56.47 6.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.881 -0.676 . . . . 2.71 112.391 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.9 mp -96.01 0.45 51.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 3.94 110.923 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 3.55 110.616 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -84.91 -24.56 28.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 4.82 111.042 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 162' ' ' VAL . 59.2 t -67.54 -39.82 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 3.12 111.881 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.85 -15.51 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 3.14 111.415 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.95 -47.54 24.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.301 -0.408 . . . . 3.01 110.785 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 159' ' ' VAL . 15.0 m -71.03 -17.34 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 2.46 110.688 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 2.31 110.93 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.83 -17.87 4.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 2.42 110.496 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.6 t -82.05 -43.78 17.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.906 -0.588 . . . . 1.85 110.216 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.735 HD12 ' HB ' ' A' ' 59' ' ' ILE . 3.6 pt -92.08 30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.964 -0.562 . . . . 2.44 110.763 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.25 -46.43 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.839 -0.619 . . . . 3.75 111.06 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 63.8 p -83.11 169.49 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.815 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -80.53 144.19 32.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 3.46 111.0 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.76 68.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 2.2 112.47 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -109.62 120.95 44.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 3.33 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 39.4 t -106.36 168.93 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 2.27 110.464 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.94 141.69 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 1.89 111.178 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -85.56 156.11 20.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 3.74 110.605 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 37.7 p90 -97.25 128.46 44.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 4.47 110.909 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 32.5 m -151.87 151.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 4.59 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.7 m120 60.16 55.84 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 6.35 110.571 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -52.07 149.4 5.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.841 -0.618 . . . . 4.67 111.141 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.6 108.82 27.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.55 . . . . 3.92 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.83 -16.36 49.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.226 1.951 . . . . 4.59 112.202 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . 0.485 HH12 ' HD2' ' A' ' 154' ' ' PRO . 17.4 ptp180 -76.17 -24.76 54.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 8.64 110.73 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -80.31 14.57 21.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.86 -0.686 . . . . 3.43 112.614 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.52 17.21 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 5.71 110.791 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.54 146.47 85.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.1 -0.5 . . . . 4.53 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.94 128.04 9.74 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.471 2.114 . . . . 3.71 112.559 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.2 -7.28 59.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 6.38 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.9 t -86.81 100.49 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 5.07 111.074 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.436 ' HG ' ' OD1' ' A' ' 189' ' ' ASP . 62.9 tp -168.1 -73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 4.32 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.436 ' OD1' ' HG ' ' A' ' 188' ' ' LEU . 35.3 m-20 -145.23 164.38 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.78 110.794 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.83 167.83 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 3.36 110.975 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.569 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 15.6 t-105 -147.63 116.92 6.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 4.16 110.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 6.2 t -146.81 169.06 19.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 1.5 111.754 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . 0.444 ' HB2' HG13 ' A' ' 255' ' ' ILE . 22.1 t80 -158.06 117.25 1.86 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 115.78 -0.645 . . . . 2.91 110.346 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.617 ' HA ' HG23 ' A' ' 207' ' ' THR . 74.0 Cg_exo -48.7 127.58 16.74 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.218 1.945 . . . . 1.48 112.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -105.07 119.09 6.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.64 112.773 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.594 0.235 . . . . 2.75 110.432 179.588 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 203' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 5.02 110.62 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -68.16 -74.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 3.98 110.727 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.4 p -174.69 35.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 2.48 110.505 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.3 121.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 1.8 111.175 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.617 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.0 m -109.13 146.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 1.27 110.453 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -92.03 107.89 19.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 2.43 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.2 mm -103.66 155.81 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 1.45 110.513 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 62.2 t -144.62 135.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 2.12 111.076 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.58 151.46 37.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 3.85 110.478 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 64.7 pttt -52.96 -46.26 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 5.85 111.25 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 212' ' ' LYS . 42.5 mm-40 -131.99 99.04 16.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 5.91 111.126 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.42 131.08 40.7 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.284 1.989 . . . . 3.58 112.044 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . 0.404 HG13 HD22 ' A' ' 147' ' ' LEU . 33.7 pt -77.28 164.53 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 4.42 111.405 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 24.2 m -125.79 144.41 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 3.53 110.743 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 147' ' ' LEU . 33.6 m -131.49 164.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.45 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 48.2 t -109.72 160.03 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.455 -0.339 . . . . 3.39 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.529 ' HB2' HH22 ' A' ' 226' ' ' ARG . 89.2 p -55.21 -23.43 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 2.82 110.974 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.97 -32.59 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 4.51 110.456 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.59 -35.04 76.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 3.92 110.449 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.6 m -94.98 -1.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 2.44 110.898 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 226' ' ' ARG . 49.4 tp -64.25 -29.54 70.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 2.8 110.535 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.863 -0.608 . . . . 3.78 110.787 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -87.68 -24.97 23.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 3.33 111.058 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.574 ' HD2' HD12 ' A' ' 223' ' ' LEU . 98.9 mtt180 -64.21 -20.39 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.045 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.46 -20.51 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 3.25 110.891 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.73 162.19 19.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.93 111.216 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.75 148.65 32.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.56 . . . . 2.92 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 51.7 p90 -72.16 -8.64 55.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.019 -0.537 . . . . 5.3 111.258 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 4.3 111.114 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.79 0.328 . . . . 5.11 110.81 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.458 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 45.6 ttp -64.99 125.39 24.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 5.21 110.767 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.14 179.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 3.44 111.396 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 12.3 t70 65.96 42.37 3.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.13 -0.486 . . . . 3.67 110.302 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.594 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 2.7 m-20 -96.27 51.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.737 -0.665 . . . . 3.74 111.426 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -97.91 148.35 23.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 3.25 110.792 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.45 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 35.4 mmt180 -140.74 151.78 64.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 3.78 110.934 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -78.03 151.34 27.2 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.543 2.162 . . . . 2.43 112.182 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.56 -173.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 3.18 111.046 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.8 143.73 50.18 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 5.35 110.846 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.11 126.02 8.31 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.579 2.186 . . . . 4.02 112.748 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 32.8 tp -72.71 -27.84 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 3.94 110.274 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.04 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 6.83 111.788 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -145.63 -54.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 5.02 111.142 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -50.65 144.33 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 5.82 111.068 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -102.32 171.53 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 3.22 110.925 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 193' ' ' TYR . 1.8 mp -68.09 116.36 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 2.02 111.068 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -88.23 78.92 7.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 2.91 110.489 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.78 162.51 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.46 111.007 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 97.0 p -106.93 1.38 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.651 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -112.26 143.57 43.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.542 . . . . 3.3 110.895 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 65.0 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.192 -0.909 . . . . 4.59 110.984 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.342 0.115 . . . . 3.57 110.77 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.62 125.16 18.14 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.513 2.142 . . . . 2.88 112.186 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.4 p -133.14 176.58 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 2.26 110.823 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.655 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -84.25 112.91 20.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 2.44 110.768 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 31' ' ' VAL . 4.7 mp -91.71 106.44 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.961 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.533 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -113.13 129.49 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 1.51 111.193 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 m -60.9 -19.97 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 1.95 110.726 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -82.53 -41.11 20.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 3.43 111.583 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -74.81 -19.66 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 1.73 111.092 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.52 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 1.29 110.772 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -128.19 144.65 51.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.372 . . . . 3.53 111.13 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -81.25 98.12 7.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 4.17 110.724 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -117.15 92.27 39.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 3.04 111.417 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.88 86.08 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.426 2.084 . . . . 2.3 112.179 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.3 p -89.76 -42.48 11.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 3.07 111.099 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.3 mt -145.66 87.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.08 111.179 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.59 149.05 95.42 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.839 -0.619 . . . . 4.28 110.879 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 39.1 Cg_endo -67.04 126.94 15.95 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.485 2.123 . . . . 2.41 112.449 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.0 -49.38 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 5.24 111.124 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -132.81 135.81 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 2.67 111.356 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG13 ' HG ' ' A' ' 79' ' ' LEU . 61.6 t -145.16 130.18 13.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.863 -0.608 . . . . 2.44 110.412 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.3 t -107.16 135.01 49.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 2.58 111.319 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -169.7 40.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 4.87 110.797 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -91.58 -43.43 9.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.11 -0.495 . . . . 4.17 110.463 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -85.11 -9.03 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 4.62 110.331 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -48.1 120.19 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.968 -0.56 . . . . 1.97 110.991 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -160.1 144.87 14.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 1.9 111.603 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.7 p -103.14 162.05 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 1.87 110.123 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.6 mt -120.7 -39.04 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.68 -0.236 . . . . 3.58 111.516 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -171.09 158.7 5.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 4.62 111.183 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 68' ' ' VAL . 4.9 mp -132.42 116.01 27.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.72 110.793 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -101.83 152.38 20.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.572 -0.286 . . . . 2.58 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' ND2' HG21 ' A' ' 166' ' ' ILE . 2.1 m-20 -103.69 153.4 20.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.258 -0.428 . . . . 1.94 111.259 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -106.54 18.65 21.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.918 -0.583 . . . . 3.13 111.005 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 97.71 10.88 52.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 2.64 112.474 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.611 ' HA ' ' HG2' ' A' ' 169' ' ' LYS . 23.7 p80 -176.89 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.711 0.291 . . . . 4.34 110.784 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.08 21.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 2.12 110.605 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -142.69 138.12 30.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 3.39 111.564 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 3.6 p-10 -117.09 148.25 41.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 2.57 110.609 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.431 ' HA ' HG13 ' A' ' 59' ' ' ILE . 13.3 p -81.4 147.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 1.95 111.424 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -110.15 145.01 37.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 3.84 110.86 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -120.45 145.14 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 4.12 110.521 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.35 149.84 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 3.04 110.78 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -86.34 33.69 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 3.88 111.59 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -89.63 -0.12 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 3.2 111.013 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 60.71 176.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.184 -0.462 . . . . 4.06 111.085 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 39.38 51.11 2.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 2.84 111.643 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.619 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 15.4 tppt? -86.26 -58.72 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.26 110.922 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -160.11 119.75 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 1.42 111.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -128.15 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.006 -0.543 . . . . 1.72 110.558 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HG ' HG13 ' A' ' 49' ' ' VAL . 5.3 mp -127.0 151.52 48.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 2.3 111.347 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -159.37 165.8 32.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 2.67 110.533 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -132.11 86.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 2.5 112.849 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.74 -178.13 16.49 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.628 -0.796 . . . . 2.63 112.633 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.09 0.85 9.3 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.459 2.106 . . . . 4.13 111.962 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.1 140.93 36.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 3.0 110.783 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.33 11.8 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 5.04 110.7 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 44.34 1.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 1.92 112.344 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 t -54.28 142.92 24.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 1.68 111.253 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -97.72 133.71 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 3.43 110.65 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.84 146.95 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 3.79 111.345 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 2.52 110.445 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.6 ' HB ' HG23 ' A' ' 121' ' ' VAL . 3.5 mp -102.85 -71.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 2.47 111.541 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' HG22 ' A' ' 91' ' ' ILE . 14.2 pt20 -159.33 171.92 18.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.82 0.343 . . . . 2.41 111.131 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 40.2 p90 -148.02 146.38 28.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.57 111.114 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -120.5 169.58 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.873 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 118' ' ' LEU . 2.3 m-85 -109.71 149.51 29.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 3.19 111.089 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -113.21 169.82 8.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.982 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -176.05 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 5.75 110.749 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 241' ' ' VAL . . . -136.44 7.44 3.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.52 -0.848 . . . . 3.04 113.244 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 -35.3 7.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.918 0.359 . . . . 4.29 111.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.2 mt -154.22 117.47 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 5.2 110.423 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.72 83.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 5.33 110.521 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.16 -45.72 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 4.18 112.293 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -139.15 131.87 29.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 4.67 110.9 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.484 ' HA2' ' HG3' ' A' ' 113' ' ' LYS . . . 72.55 -11.99 3.84 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.79 -0.719 . . . . 1.95 113.119 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.1 t 64.59 133.04 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.014 0.435 . . . . 2.04 111.245 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.86 -13.75 17.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 2.64 110.744 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -100.66 175.07 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 2.11 110.586 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 61.4 m -82.11 127.27 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.88 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.1 m -83.51 159.54 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.24 111.54 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.16 74.72 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.644 -0.707 . . . . 2.18 110.136 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 67.62 -2.41 1.35 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.9 -0.591 . . . . 3.37 111.288 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HD2' ' HD3' ' A' ' 148' ' ' LYS . 53.0 pttt -136.41 120.71 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 3.86 110.821 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HG3' ' HA2' ' A' ' 104' ' ' GLY . 24.7 ttmm -80.39 149.32 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.956 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.93 98.98 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 2.18 110.332 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.84 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 1.72 111.098 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -123.93 168.04 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.55 110.569 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 43.2 mt-10 -150.48 141.6 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.868 0.366 . . . . 2.4 111.566 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.601 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.5 mt -86.57 148.17 25.62 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.081 -0.509 . . . . 2.07 110.41 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 97.74 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 1.71 111.264 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.571 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 8.3 mp -89.39 134.55 34.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.406 . . . . 2.51 110.29 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.6 HG23 ' HB ' ' A' ' 91' ' ' ILE . 7.2 m -103.26 121.64 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.83 111.444 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -131.71 158.57 40.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.033 -0.53 . . . . 2.43 110.749 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -169.86 143.51 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 3.95 110.608 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.22 127.87 33.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 2.19 111.097 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 t -74.52 -14.69 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.77 110.917 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.84 -26.88 59.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 3.65 110.941 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -79.61 -27.85 41.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 4.38 111.042 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.79 -71.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 2.22 112.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.39 172.04 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 3.07 110.945 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -55.73 -37.78 68.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 3.08 110.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.82 68.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.843 -0.694 . . . . 2.36 112.565 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -88.89 -25.16 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 3.63 110.754 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.79 -39.91 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 1.73 111.132 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.65 -11.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 2.3 111.29 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.08 -10.45 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 3.84 110.773 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -138.2 129.57 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.01 -0.541 . . . . 3.22 110.512 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.45 -32.69 24.79 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 2.44 112.282 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -106.91 26.59 9.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 2.64 110.69 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -99.88 -18.27 23.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.797 -0.716 . . . . 1.49 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.5 pt? -126.48 151.61 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.76 110.907 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.3 135.37 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 206' ' ' VAL . 27.8 t -105.52 121.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 1.3 111.077 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.5 mm? -85.94 106.36 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 2.1 111.15 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -100.15 109.9 3.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.902 -0.666 . . . . 1.4 112.251 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.609 HD11 ' HG ' ' A' ' 211' ' ' LEU . 48.6 mm -104.28 143.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 1.53 111.292 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 53.2 p90 -108.54 151.44 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 4.48 110.96 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.0 mt -122.36 119.84 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 3.25 110.613 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.42 ' HD3' ' HD2' ' A' ' 112' ' ' LYS . 63.2 pttt -114.18 138.36 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 4.32 110.994 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.88 135.89 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 3.13 110.726 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.9 -167.63 20.94 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.936 -0.65 . . . . 3.15 111.838 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.0 m 55.95 53.97 8.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.073 0.463 . . . . 3.85 110.392 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.28 117.26 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 3.82 111.518 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 36.8 ttmt -102.25 136.6 19.39 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.155 -0.475 . . . . 5.19 110.648 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.35 -29.98 7.14 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.507 2.138 . . . . 3.09 112.54 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.21 2.8 68.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 2.71 112.834 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 45.4 tp -68.32 -12.49 61.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 3.94 110.695 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.33 -21.58 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 3.55 110.689 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -50.43 -47.13 56.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 4.82 111.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 162' ' ' VAL . 11.8 p -84.45 -22.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.311 -0.404 . . . . 3.12 111.237 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.89 -32.06 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 3.14 111.131 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -73.67 -49.24 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 3.01 110.896 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 159' ' ' VAL . 12.1 p -66.39 -24.3 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 2.46 110.903 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.73 -39.14 93.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 2.31 111.219 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.59 -12.46 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 2.42 110.873 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.9 m -83.19 -34.18 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 1.85 111.139 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.427 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -104.31 51.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.891 0.377 . . . . 2.44 110.84 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 168' ' ' THR . 9.4 ptpp? -50.4 -41.67 52.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.142 -0.481 . . . . 3.75 110.772 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 p -111.3 144.73 40.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 2.36 110.616 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -66.56 146.07 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 3.46 111.107 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.68 -25.36 15.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.838 -0.696 . . . . 2.2 112.446 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.03 176.89 9.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 3.33 111.073 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 36.5 t -135.81 172.93 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.818 -0.628 . . . . 2.27 110.984 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.09 142.57 18.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.89 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -92.5 134.04 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 3.74 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -156.16 107.39 2.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 4.47 110.611 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.9 t -128.67 -178.66 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 4.59 111.079 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 64.34 57.19 1.21 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.023 0.44 . . . . 6.35 111.219 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -87.12 139.67 30.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.459 . . . . 4.67 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.69 112.44 34.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 3.92 111.229 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.25 -7.86 13.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.556 2.171 . . . . 4.59 112.549 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -66.28 -30.08 70.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.383 -0.372 . . . . 8.64 110.976 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -74.72 2.35 48.98 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.686 -0.769 . . . . 3.43 112.575 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 95.1 mt -111.98 19.1 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.681 0.277 . . . . 5.71 110.99 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 2.5 pt? -55.85 145.83 50.68 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 4.53 110.718 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 15.6 Cg_exo -68.58 126.89 14.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.593 2.195 . . . . 3.71 112.41 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.83 -45.7 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 6.38 110.746 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.8 m -151.82 159.43 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 5.07 110.781 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 74.4 mt -93.85 59.06 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 4.32 110.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -147.95 168.47 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 3.78 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -139.94 -179.94 6.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 3.36 110.778 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.669 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 8.3 t-105 -145.07 111.49 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 4.16 110.251 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.8 t -114.79 153.63 30.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 1.5 111.185 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -160.34 87.08 1.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 2.91 110.923 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.622 ' HA ' HG23 ' A' ' 207' ' ' THR . 36.4 Cg_endo -65.57 127.72 18.62 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.192 1.928 . . . . 1.48 111.981 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.77 -166.78 15.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 1.64 112.715 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--N 1.33 -0.283 0 CA-C-O 120.676 0.274 . . . . 2.75 110.874 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.827 0.346 . . . . 5.02 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.58 14.49 29.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 3.98 110.82 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 6.23 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 2.48 110.541 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 142' ' ' VAL . 16.2 t -125.05 121.45 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 1.8 111.031 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.622 HG23 ' HA ' ' A' ' 194' ' ' PRO . 30.9 m -113.04 146.49 39.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 1.27 110.963 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.83 108.65 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 2.43 111.124 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -115.39 146.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 1.45 110.692 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 21.6 t -122.32 137.07 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.12 111.11 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 145' ' ' ILE . 63.4 mt -64.86 167.61 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 3.85 110.938 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -68.59 -28.99 67.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 5.85 111.268 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.27 90.79 50.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 5.91 111.124 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.04 127.45 16.02 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.389 2.06 . . . . 3.58 112.132 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 19.2 tt -82.31 151.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 4.42 111.178 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 77.9 p -131.34 165.84 22.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 3.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.462 ' HB ' HE21 ' A' ' 221' ' ' GLN . 29.9 m -114.32 147.5 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 2.45 111.224 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 51.7 m -92.73 150.59 20.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 3.39 110.806 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 222' ' ' VAL . 39.7 t -70.83 -13.25 61.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 2.82 110.967 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.13 -35.61 41.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 4.51 111.479 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . 0.462 HE21 ' HB ' ' A' ' 217' ' ' VAL . 7.7 pt20 -80.22 -36.85 34.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.7 0.286 . . . . 3.92 111.197 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 219' ' ' SER . 18.1 m -76.84 -6.5 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.39 . . . . 2.44 110.732 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.92 -35.51 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 2.8 110.209 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -75.48 -24.93 56.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.833 -0.621 . . . . 3.78 110.739 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -63.39 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 3.33 110.74 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.37 -33.91 74.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 4.82 110.667 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -75.3 -23.91 57.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 3.25 110.69 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 86.5 mt -88.03 162.13 16.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.025 -0.534 . . . . 2.93 110.821 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.11 145.96 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 2.92 110.598 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -73.2 3.1 6.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 5.3 111.177 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.608 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.85 0.357 . . . . 5.11 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.569 ' HG3' HG12 ' A' ' 241' ' ' VAL . 25.6 ptt? -54.1 -30.98 50.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.876 -0.602 . . . . 5.21 111.192 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 240' ' ' MET . 8.2 p -158.84 149.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 3.44 110.988 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -149.08 26.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 3.67 110.364 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.451 ' H ' HG22 ' A' ' 241' ' ' VAL . 3.0 t-20 -129.53 34.34 4.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 3.74 111.171 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -97.1 132.75 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 3.25 110.896 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -141.11 150.9 60.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 3.78 111.117 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.16 136.51 20.18 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.582 2.188 . . . . 2.43 112.362 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -93.63 164.76 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 3.18 111.527 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -129.53 99.42 20.97 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 5.35 110.241 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.14 123.84 11.78 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.318 2.012 . . . . 4.02 112.591 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.424 HD23 ' HG2' ' A' ' 253' ' ' ARG . 56.1 tp -80.03 -40.29 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 3.94 110.635 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.6 29.26 13.13 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.612 -0.722 . . . . 6.83 111.177 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -127.52 -56.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 5.02 111.126 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . 0.424 ' HG2' HD23 ' A' ' 250' ' ' LEU . 5.2 mmp_? -74.47 143.94 44.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 5.82 111.172 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.47 168.6 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 3.22 110.891 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.4 mp -105.53 111.51 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 2.02 110.838 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.95 103.01 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 2.91 110.795 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.669 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -125.44 168.34 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.46 111.006 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.6 t -78.37 -13.48 59.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 2.32 110.194 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -111.73 154.52 24.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.3 110.575 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.902 . . . . 4.59 111.21 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.453 0.168 . . . . 3.57 111.29 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . 34.8 Cg_endo -66.06 128.17 19.1 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.527 2.151 . . . . 2.88 112.49 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 32' ' ' ASP . 21.7 t -127.07 166.18 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.03 -0.532 . . . . 2.26 110.26 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.525 ' N ' HG12 ' A' ' 31' ' ' VAL . 13.1 t70 -88.8 98.46 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.885 0.374 . . . . 2.44 110.5 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -81.5 137.63 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.04 129.31 55.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 1.51 111.051 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -80.16 -34.59 37.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.847 -0.615 . . . . 1.95 110.807 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -64.46 -39.86 94.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 3.43 110.736 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.2 p -81.46 -21.59 38.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 1.73 110.869 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.02 152.76 31.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.513 . . . . 1.29 111.089 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -132.89 128.71 37.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.398 -0.365 . . . . 3.53 110.799 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 41.4 p90 -94.55 134.74 36.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 4.17 110.983 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.529 ' H ' ' HA ' ' A' ' 258' ' ' SER . 3.3 p30 -130.19 127.42 22.58 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.243 -0.435 . . . . 3.04 110.972 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.09 32.74 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.445 2.096 . . . . 2.3 112.55 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -66.62 -17.83 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 3.07 111.233 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.621 HD11 ' HA3' ' A' ' 81' ' ' GLY . 52.2 tp -132.35 124.59 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 3.08 111.053 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -108.74 138.91 20.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 4.28 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.75 125.45 17.26 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.219 1.946 . . . . 2.41 111.743 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -103.5 -66.39 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 5.24 110.695 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.8 m -135.72 109.83 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 2.67 110.768 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG22 HD12 ' A' ' 79' ' ' LEU . 45.7 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 2.44 111.363 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -113.53 149.02 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 2.58 110.467 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -175.06 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 4.87 111.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.86 -25.55 63.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 4.17 110.429 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.55 -15.66 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 4.62 110.841 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -53.53 125.27 17.48 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.268 -0.424 . . . . 1.97 110.873 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 m -125.59 143.3 51.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 1.9 111.468 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.4 t -96.41 153.9 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 1.87 110.501 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 71' ' ' ASP . 57.9 mt -92.04 -38.78 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 3.58 111.138 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 172' ' ' SER . 11.1 ptm180 -179.49 162.12 1.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.213 -0.449 . . . . 4.62 111.075 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.465 HG12 HG12 ' A' ' 68' ' ' VAL . 50.3 mt -122.57 103.35 13.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 1.72 110.386 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 61' ' ' ASN . 3.3 tm? -113.71 133.87 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 2.58 110.765 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 m-20 -107.8 155.13 20.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 1.94 110.722 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 3.13 110.895 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.24 -4.22 64.65 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.683 -0.77 . . . . 2.64 112.03 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -139.47 -68.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 4.34 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.79 154.56 34.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 2.12 111.071 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -164.65 145.12 7.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 3.39 110.47 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 94' ' ' HIS . 1.1 m120 -81.17 143.37 32.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 2.57 110.671 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 59' ' ' ILE . 3.7 m -76.04 116.78 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 1.95 111.278 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 10.5 pt-20 -100.12 147.8 25.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 3.84 111.107 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.55 175.97 5.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 4.12 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HB2' HD21 ' A' ' 57' ' ' LEU . 20.8 t70 -64.38 132.03 48.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 3.04 110.835 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.52 -19.73 15.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 3.88 111.466 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -71.77 -14.74 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 3.2 111.015 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -131.34 -173.34 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 4.06 110.651 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.91 105.68 3.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 2.84 111.065 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 pttm -129.62 28.94 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 3.26 110.958 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -161.36 118.03 2.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 1.42 110.757 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.71 167.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 1.72 111.336 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 64.2 tp -148.26 124.87 11.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 2.3 111.219 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -157.56 138.94 13.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 2.67 110.823 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.621 ' HA3' HD11 ' A' ' 44' ' ' LEU . . . -91.79 -176.3 42.69 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.912 -0.661 . . . . 2.5 112.689 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.68 -88.86 0.02 OUTLIER Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.021 -0.609 . . . . 2.63 113.009 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' HD2' HD12 ' A' ' 44' ' ' LEU . 19.7 Cg_endo -59.81 -14.94 29.5 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.572 2.182 . . . . 4.13 112.586 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.447 HD12 ' HA3' ' A' ' 81' ' ' GLY . 75.1 mt -71.8 132.6 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 3.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.4 65.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 5.04 110.513 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.65 92.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.969 -0.634 . . . . 1.92 112.161 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -61.73 141.56 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 1.68 111.55 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 77.3 m-85 -112.03 117.3 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 3.43 110.635 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -88.7 138.55 31.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 3.79 111.046 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.522 HD23 HD11 ' A' ' 120' ' ' LEU . 6.6 mp -85.34 131.5 34.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 2.52 110.571 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.2 mp -103.18 -68.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.469 -0.332 . . . . 2.47 111.216 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 91' ' ' ILE . 9.6 pt20 -159.39 161.8 35.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 2.41 111.187 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.437 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 36.1 p90 -142.73 163.16 33.56 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.843 0.354 . . . . 1.57 110.833 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.6 p-80 -130.51 168.2 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 1.29 110.805 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -128.9 143.12 50.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.19 111.587 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -96.68 170.79 8.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.948 -0.569 . . . . 1.68 110.22 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.481 ' H ' ' ND2' ' A' ' 243' ' ' ASN . 79.5 m95 -148.74 106.28 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.655 -0.248 . . . . 5.75 110.96 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.94 161.39 3.86 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.897 -0.668 . . . . 3.04 112.718 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.1 t -77.17 -28.29 54.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 4.29 111.017 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 103' ' ' GLN . 52.1 tp -89.47 153.35 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 5.2 110.757 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.73 39.74 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 5.33 111.009 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.84 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 4.18 112.538 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.2 pt20 -164.58 162.4 21.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 4.67 111.064 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.0 62.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.74 -0.743 . . . . 1.95 112.722 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -101.02 177.28 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.697 0.284 . . . . 2.04 110.722 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 43.0 mt-10 -80.97 -73.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 2.64 110.986 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -66.7 172.66 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 2.11 110.827 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.6 m -153.17 98.36 2.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.45 HG22 ' HE2' ' A' ' 114' ' ' TYR . 21.3 m -95.64 145.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 2.24 111.331 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.9 t70 53.17 32.77 13.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 2.18 110.937 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 24.94 10.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 3.37 111.391 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -121.2 117.93 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 3.86 110.853 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -89.11 147.77 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 2.57 110.693 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HE2' HG22 ' A' ' 109' ' ' VAL . 70.7 m-85 -112.68 174.31 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 2.18 110.908 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -72.75 -43.15 63.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 1.72 110.76 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -167.43 177.89 5.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.568 . . . . 1.55 110.743 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 49.4 mt-10 -150.04 136.6 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 2.4 110.902 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 147' ' ' LEU . 3.6 pp -86.55 147.87 25.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.08 -0.341 . . . . 2.07 110.08 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.578 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 12.5 m170 -120.3 113.58 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 1.71 111.411 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 90' ' ' LEU . 7.0 tt -104.3 131.78 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 2.51 110.764 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.427 ' N ' HD23 ' A' ' 120' ' ' LEU . 10.5 t -113.88 123.87 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 1.83 111.284 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -131.79 109.55 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 2.43 110.899 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -90.84 142.83 27.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.339 -0.391 . . . . 3.95 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.582 HD22 ' N ' ' A' ' 125' ' ' THR . 0.2 OUTLIER -62.18 128.58 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 2.19 110.495 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.582 ' N ' HD22 ' A' ' 124' ' ' ASN . 31.8 p -68.97 -14.7 63.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 1.77 111.606 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.445 ' HG3' ' ND2' ' A' ' 124' ' ' ASN . 54.2 mtpt -66.66 -27.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 3.65 110.801 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -96.84 -12.02 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 4.38 110.849 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.48 -60.19 4.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.744 . . . . 2.22 112.556 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -136.36 163.28 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 3.07 110.995 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 30.8 p90 -61.44 -19.4 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 3.08 111.15 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.42 -46.91 93.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.613 -0.804 . . . . 2.36 112.607 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -89.78 -17.45 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 3.63 111.0 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -74.1 -41.62 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 1.73 111.35 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 130' ' ' PHE . 22.0 m -61.52 -11.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 2.3 111.699 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.18 -26.7 62.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 3.84 110.607 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -112.96 151.07 43.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.733 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.48 -31.27 61.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.525 2.15 . . . . 2.44 112.05 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -107.66 10.34 29.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.64 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -55.63 -42.36 84.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.878 -0.677 . . . . 1.49 112.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.5 pt? -140.23 146.68 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 1.76 111.176 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 156.68 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 0.98 110.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.39 116.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 1.3 111.915 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 63.8 tp -85.64 140.02 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 2.1 110.343 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.49 135.49 8.08 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.513 -0.851 . . . . 1.4 112.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.5 mt -126.7 142.41 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.53 110.61 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 72.9 m-85 -81.9 160.05 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 4.48 111.195 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 118' ' ' LEU . 79.4 mt -141.36 96.69 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.007 -0.542 . . . . 3.25 110.84 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -115.14 150.1 36.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 4.32 110.989 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.16 152.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 3.13 110.981 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.88 -176.85 18.18 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.639 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m 66.03 138.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.021 0.438 . . . . 3.85 111.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.65 166.47 21.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 3.82 111.148 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 39.7 ttmt -108.15 138.77 20.22 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.462 . . . . 5.19 110.656 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 27.1 Cg_exo -62.65 0.24 1.59 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.666 2.244 . . . . 3.09 112.764 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.31 34.14 4.31 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.589 -0.815 . . . . 2.71 113.086 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 159' ' ' VAL . 4.0 mm? -106.51 21.62 17.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 3.94 110.48 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.11 -43.05 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 3.55 111.495 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -61.16 -36.41 79.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 4.82 111.229 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 156' ' ' LEU . 84.3 t -63.12 -43.68 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 3.12 111.459 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.78 -13.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.467 -0.333 . . . . 3.14 111.6 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -55.24 -19.41 8.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.953 0.406 . . . . 3.01 111.173 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 176' ' ' THR . 11.2 p -56.35 -17.91 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 2.46 111.974 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -60.8 -26.68 67.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 2.31 111.404 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.69 -12.23 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 2.42 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.4 t -77.37 -27.56 52.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 1.85 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 171' ' ' LYS . 3.1 mp -101.7 51.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 2.44 111.362 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -54.53 -48.3 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 3.75 110.253 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.0 p -100.43 154.65 18.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.821 -0.627 . . . . 2.36 110.613 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 239' ' ' LEU . 11.7 mptt -79.72 143.2 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 3.46 110.69 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 6.82 23.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 2.2 112.681 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 166' ' ' ILE . 17.7 tppt? -108.77 152.21 25.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 3.33 110.628 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.599 ' HB3' HH21 ' A' ' 58' ' ' ARG . 88.5 p -96.86 146.0 25.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 2.27 110.81 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -98.24 144.16 27.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 1.89 111.617 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.76 158.22 22.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.589 . . . . 3.74 110.989 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -47.66 105.04 0.06 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.099 -0.5 . . . . 4.47 110.896 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.601 HG21 HG11 ' A' ' 162' ' ' VAL . 51.6 p -144.52 -172.63 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 4.59 111.398 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 59.6 t30 57.92 57.02 4.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.773 -0.648 . . . . 6.35 111.314 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -105.25 128.47 53.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 4.67 110.817 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.66 77.33 47.41 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 3.92 111.098 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.73 -8.23 22.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 4.59 112.216 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -82.93 -6.77 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 8.64 111.088 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -79.6 62.91 4.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.759 -0.734 . . . . 3.43 112.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 183' ' ' LEU . 6.6 mp -86.37 12.43 10.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 5.71 110.623 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -52.67 147.77 14.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 4.53 111.128 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.46 133.22 14.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.526 2.151 . . . . 3.71 112.512 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.18 -11.21 59.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 6.38 111.059 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 65.0 p -71.21 94.8 1.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.455 . . . . 5.07 110.98 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.628 ' HG ' ' H ' ' A' ' 189' ' ' ASP . 7.3 tp -165.56 -161.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 4.32 110.482 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.628 ' H ' ' HG ' ' A' ' 188' ' ' LEU . 11.1 m-20 -111.42 -179.1 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 3.78 110.847 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 258' ' ' SER . 27.6 p90 -169.85 149.98 3.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.353 -0.385 . . . . 3.36 110.707 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 21.8 m95 -72.51 144.77 47.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 4.16 110.788 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . 0.516 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 4.8 t -152.41 129.79 11.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.455 -0.338 . . . . 1.5 111.411 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -156.51 127.67 3.66 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.333 -0.394 . . . . 2.91 110.841 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.35 133.75 16.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.376 2.051 . . . . 1.48 112.355 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -108.48 165.8 12.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 1.64 112.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 110.382 -0.229 . . . . 2.75 110.382 179.813 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.614 0.245 . . . . 5.02 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.51 44.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 3.98 111.221 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -98.48 12.36 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.061 0.458 . . . . 2.48 110.155 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.35 133.92 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.568 -0.742 . . . . 1.8 111.128 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 27.0 m -113.15 141.57 46.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 1.27 110.603 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . 0.481 ' HH2' ' HE2' ' A' ' 119' ' ' HIS . 26.8 t-105 -102.62 108.27 19.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 2.43 110.549 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -112.18 150.11 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 1.45 110.82 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 94.1 t -127.69 122.14 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 2.12 110.867 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.645 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 40.9 tp -56.64 143.53 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 3.85 110.721 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.742 ' HD2' ' H ' ' A' ' 212' ' ' LYS . 0.0 OUTLIER -62.77 -21.73 66.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 5.85 111.25 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.645 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 36.8 tt0 -133.78 84.35 44.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 5.91 110.804 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.24 134.34 63.62 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.556 2.171 . . . . 3.58 112.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.1 mt -74.74 147.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.5 . . . . 4.42 110.89 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 84.3 p -134.26 144.51 48.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.976 0.417 . . . . 3.53 111.245 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 218' ' ' SER . 13.5 p -101.67 159.78 4.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 2.45 110.295 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 217' ' ' VAL . 70.4 m -103.99 150.55 24.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 3.39 111.051 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 79.7 p -60.51 -18.0 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 2.82 110.833 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.0 -22.71 27.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 4.51 110.753 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -77.43 -28.68 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 3.92 111.094 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.24 -20.43 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 2.44 111.149 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 219' ' ' SER . 94.3 mt -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 2.8 110.807 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.28 -14.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 3.78 110.951 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -77.02 -22.38 53.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 3.33 110.551 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -70.31 -5.79 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 4.82 111.219 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -69.06 -25.92 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 3.25 110.927 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.04 162.22 29.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 2.93 110.845 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . 0.487 ' H ' ' NZ ' ' A' ' 169' ' ' LYS . 58.5 m-20 -111.4 145.94 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.92 111.268 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.446 ' HB2' ' HG3' ' A' ' 240' ' ' MET . 34.6 p90 -96.63 -15.16 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.085 -0.507 . . . . 5.3 110.914 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.463 0.178 0 CA-C-N 115.914 -0.585 . . . . 4.3 110.601 -179.713 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.49 ' HB3' ' HE2' ' A' ' 169' ' ' LYS . 55.9 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 5.11 111.447 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.446 ' HG3' ' HB2' ' A' ' 230' ' ' PHE . 58.5 ttp -100.15 147.05 26.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 5.21 110.336 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.55 126.61 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 3.44 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -173.5 37.31 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.392 -0.367 . . . . 3.67 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . 0.481 ' ND2' ' H ' ' A' ' 97' ' ' TRP . 36.0 m-80 -83.87 55.76 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 3.74 110.966 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -106.56 134.24 50.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.545 . . . . 3.25 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.428 ' HB3' ' HG3' ' A' ' 30' ' ' PRO . 21.7 mmm180 -140.73 153.86 68.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 3.78 110.843 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.42 173.11 4.59 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.553 2.169 . . . . 2.43 112.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -161.45 43.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 3.18 110.786 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 125.58 80.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 5.35 110.817 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.29 128.01 15.81 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.392 2.062 . . . . 4.02 112.41 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.12 -35.5 42.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 3.94 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.6 tptm 63.22 25.89 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.782 -0.645 . . . . 6.83 110.034 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -127.0 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 5.02 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -71.12 156.39 39.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 5.82 111.334 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 162.95 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.564 . . . . 3.22 110.764 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.418 HG21 HG23 ' A' ' 33' ' ' ILE . 6.1 tp -116.09 126.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 2.02 110.946 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -96.7 151.15 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 2.91 110.929 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.72 172.48 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 1.46 111.23 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . 0.529 ' HA ' ' H ' ' A' ' 41' ' ' ASP . 48.4 t -115.02 -13.69 11.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 2.32 110.634 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.44 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 92.7 t80 -111.71 147.42 35.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 3.3 110.592 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.212 -0.899 . . . . 4.59 110.926 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 48.8 m . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.53 0.205 . . . . 3.57 111.259 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 16.2 Cg_exo -69.02 136.33 34.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.814 2.342 . . . . 2.88 112.45 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.625 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.5 p -131.18 175.5 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.496 . . . . 2.26 110.76 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 31' ' ' VAL . 21.2 t70 -86.39 98.58 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.44 110.332 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.538 HG23 HG12 ' A' ' 255' ' ' ILE . 2.4 mp -73.5 134.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 1.53 111.265 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.502 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.7 m-20 -112.77 129.01 56.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 1.51 110.787 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 m -73.44 -17.39 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 1.95 110.502 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.33 -38.42 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 3.43 111.247 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 34' ' ' ASP . 9.8 t -75.72 -22.38 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.36 . . . . 1.73 111.156 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.95 147.69 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 1.29 110.751 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -105.48 151.23 24.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.951 0.405 . . . . 3.53 111.398 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.552 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 91.9 t80 -87.86 112.22 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.819 -0.628 . . . . 4.17 110.538 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -111.06 99.05 41.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.446 -0.343 . . . . 3.04 111.16 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.75 3.83 7.43 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.449 2.1 . . . . 2.3 112.382 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -69.93 -45.62 67.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 3.07 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.569 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 80.4 mt -70.83 157.9 37.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 3.08 110.801 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -106.79 155.93 38.15 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 4.28 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.25 125.88 11.0 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.486 2.124 . . . . 2.41 112.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 80' ' ' LYS . 21.7 tp -63.75 85.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 5.24 110.939 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.6 m -72.6 109.56 6.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 2.67 110.316 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.19 124.58 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.461 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.6 m -93.69 144.92 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 2.58 110.239 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -168.85 40.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 4.87 111.157 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.16 -28.41 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 4.17 110.218 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -109.83 5.55 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 4.62 110.816 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -58.36 120.89 9.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 1.97 110.858 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 178' ' ' PHE . 57.6 m -157.34 142.63 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 1.9 111.043 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.8 p -91.4 156.44 17.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.596 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 46.6 tp -104.66 -39.09 6.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 3.58 111.254 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -175.95 139.09 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.394 -0.366 . . . . 4.62 111.23 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 tt -121.65 103.54 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.171 0.51 . . . . 1.72 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.64 175.88 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 2.58 111.321 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.442 HD22 ' HG3' ' A' ' 169' ' ' LYS . 2.9 m-20 -116.36 158.67 23.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.818 -0.628 . . . . 1.94 110.455 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -106.37 23.77 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.415 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.07 14.43 82.25 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.279 -0.963 . . . . 2.64 111.976 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -167.61 -53.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 4.34 110.76 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.09 145.72 48.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 2.12 110.733 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -120.82 136.45 54.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 3.39 111.695 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 17.0 m120 -133.39 153.21 51.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.841 -0.618 . . . . 2.57 110.43 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 93' ' ' PHE . 2.3 t -89.48 124.54 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.599 -0.273 . . . . 1.95 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -104.84 132.27 51.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 3.84 110.954 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -103.63 164.65 11.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 4.12 110.829 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 13.8 t70 -90.04 150.66 22.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.378 -0.374 . . . . 3.04 110.83 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.87 31.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 3.88 111.249 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 t -74.52 -45.01 48.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 3.2 110.94 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -147.97 -169.84 3.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 4.06 110.756 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.18 -21.2 58.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 2.84 110.407 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 71' ' ' ASP . 1.8 mptm? 61.05 -84.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 3.26 111.484 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -135.38 134.03 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 1.42 111.371 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.91 158.44 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 1.72 110.944 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 10.0 mp -113.46 120.74 42.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.412 -0.358 . . . . 2.3 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.47 ' NZ ' HD11 ' A' ' 84' ' ' LEU . 32.4 mmmt -127.33 163.53 23.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.287 -0.415 . . . . 2.67 110.774 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.31 176.3 28.83 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.701 -0.761 . . . . 2.5 112.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 44' ' ' LEU . . . 54.0 -151.36 12.59 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.739 -0.743 . . . . 2.63 112.069 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD3' HD13 ' A' ' 44' ' ' LEU . 36.1 Cg_exo -58.06 87.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.228 1.952 . . . . 4.13 111.373 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.47 HD11 ' NZ ' ' A' ' 80' ' ' LYS . 23.2 tp -66.04 131.47 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 3.0 111.756 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -158.49 36.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.91 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.41 126.61 5.88 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.862 -0.685 . . . . 1.92 111.969 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 t -49.13 125.66 11.14 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 1.68 111.314 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 85.7 m-85 -87.18 124.44 33.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.066 -0.515 . . . . 3.43 111.419 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -103.42 149.63 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 3.79 110.569 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.5 tp -87.29 136.0 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 2.52 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -112.92 -63.87 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.347 -0.388 . . . . 2.47 110.983 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 67' ' ' ASN . 4.1 pt20 -159.24 154.55 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 2.41 110.756 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.533 ' O ' HG23 ' A' ' 68' ' ' VAL . 35.0 p90 -150.17 168.05 25.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.742 0.306 . . . . 1.57 111.039 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 22.8 p-80 -137.27 168.25 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.29 110.445 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' HA ' HD22 ' A' ' 118' ' ' LEU . 37.7 m-85 -111.26 160.34 17.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.056 0.455 . . . . 3.19 112.102 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -127.38 170.97 11.95 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.742 -0.663 . . . . 1.68 110.323 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.493 ' HE1' HG13 ' A' ' 222' ' ' VAL . 38.6 t90 -173.06 100.47 0.13 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.791 0.329 . . . . 5.75 110.936 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.34 169.7 2.81 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.882 -0.675 . . . . 3.04 112.484 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.8 m -68.27 -31.29 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.292 . . . . 4.29 111.199 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.24 133.25 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 5.2 110.594 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.88 30.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 5.33 110.801 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.85 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.882 -0.675 . . . . 4.18 112.351 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 55.9 mt-30 -145.63 133.92 21.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.904 0.383 . . . . 4.67 111.099 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.24 58.49 0.03 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.761 -0.733 . . . . 1.95 112.709 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -100.88 -174.43 2.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 2.04 110.851 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG3' ' HB2' ' A' ' 245' ' ' ARG . 36.3 tt0 -84.83 -80.76 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 2.64 110.725 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -86.71 168.73 13.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 2.11 110.4 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 113' ' ' LYS . 66.2 p -138.7 122.01 17.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.88 111.151 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.9 m -104.37 151.51 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 2.24 110.8 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 54.69 32.76 17.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.18 110.424 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 58.58 25.12 12.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 3.37 111.186 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -121.99 144.39 48.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 3.86 110.809 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' THR . 25.1 ttmm -109.44 151.28 26.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 2.57 110.955 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.38 169.46 8.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.27 -0.423 . . . . 2.18 110.721 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -65.72 -50.01 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.689 0.28 . . . . 1.72 111.35 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.84 -177.6 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 1.55 111.068 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -152.19 120.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 2.4 110.609 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 95' ' ' PHE . 39.4 mt -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 2.07 111.132 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.2 m170 -105.8 104.16 13.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.152 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 120' ' ' LEU . 6.6 mp -113.8 110.81 20.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 2.51 110.67 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.04 147.44 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 1.83 111.297 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -131.69 120.17 22.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.817 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.552 ' HB2' HG12 ' A' ' 91' ' ' ILE . 10.1 m95 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 3.95 110.987 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.609 HD22 ' N ' ' A' ' 124' ' ' ASN . 0.1 OUTLIER -57.06 129.76 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 2.19 110.754 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.0 t -63.0 -14.72 51.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.989 0.423 . . . . 1.77 111.297 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -13.96 6.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.655 -0.702 . . . . 3.65 111.361 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.472 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -77.17 -29.75 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 4.38 111.457 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.24 -65.51 2.69 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.539 -0.839 . . . . 2.22 112.167 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.32 163.23 31.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 3.07 110.895 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -55.18 -43.7 74.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.369 . . . . 3.08 111.392 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.64 -27.4 27.07 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.981 -0.628 . . . . 2.36 112.931 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 75.9 mmtt -89.52 -32.18 17.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.763 0.316 . . . . 3.63 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 140' ' ' LEU . . . -58.73 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 1.73 110.539 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.82 -22.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 2.3 111.101 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -80.94 -21.0 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 3.84 111.056 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -116.28 96.1 46.78 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.397 -0.365 . . . . 3.22 110.762 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' A' ' 204' ' ' GLU . 31.8 Cg_exo -58.29 -44.94 34.19 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.493 2.129 . . . . 2.44 112.584 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.44 15.55 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.408 . . . . 2.64 111.198 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.35 12.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.721 . . . . 1.49 112.507 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 140' ' ' LEU . 2.3 mm? -110.4 122.51 47.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 1.76 110.72 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.33 123.29 41.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.384 . . . . 0.98 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 207' ' ' THR . 40.2 t -90.53 117.87 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.3 111.064 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 79' ' ' LEU . 55.3 tp -85.93 132.46 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 2.1 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -112.4 135.46 12.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 1.4 112.692 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.39 104.27 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 1.53 110.894 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.426 ' O ' HD23 ' A' ' 147' ' ' LEU . 85.5 m-85 -70.42 153.17 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 4.48 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.432 HD11 HD21 ' A' ' 118' ' ' LEU . 68.6 mt -128.52 135.75 49.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 3.25 110.752 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -138.72 143.21 38.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 4.32 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.38 130.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.399 . . . . 3.13 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 142.34 160.25 8.27 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.72 . . . . 3.15 112.072 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.9 t 58.93 77.31 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 3.85 110.543 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.69 161.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 3.82 111.462 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 157' ' ' GLN . 19.7 pttp -66.3 146.73 99.05 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.435 . . . . 5.19 110.733 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.6 19.62 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.522 2.148 . . . . 3.09 112.372 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.83 54.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.872 -0.68 . . . . 2.71 112.337 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.06 28.4 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 3.94 110.486 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 53.0 tt0 -52.5 -43.23 64.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.681 . . . . 3.55 111.47 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 4.82 111.083 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.46 -29.96 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 3.12 110.759 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.36 -22.19 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 3.14 110.926 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -80.35 -19.61 46.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 3.01 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 40.1 t -56.65 -30.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 2.46 111.124 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -32.47 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 2.31 111.111 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.23 -14.26 4.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 2.42 110.734 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -84.58 -31.09 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.075 -0.511 . . . . 1.85 111.03 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -133.77 45.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.016 0.436 . . . . 2.44 111.048 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 227' ' ' LYS . 79.1 tttt -78.55 -45.95 20.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 3.75 111.118 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.3 p -91.33 149.9 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 2.36 111.078 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.5 OUTLIER -80.62 147.28 30.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.988 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.34 -19.91 21.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.938 -0.649 . . . . 2.2 112.435 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -109.33 155.95 20.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 3.33 110.81 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 95.0 p -125.16 164.34 20.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -168.02 135.01 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.331 -0.395 . . . . 1.89 111.063 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.85 137.52 32.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 3.74 110.878 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -146.31 115.35 6.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.371 -0.377 . . . . 4.47 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.2 p -110.78 179.62 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 4.59 110.591 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.65 48.41 18.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 6.35 111.245 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' PHE . . . . . 0.588 ' H ' HG23 ' A' ' 55' ' ' THR . 41.3 t80 -111.56 114.05 26.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 4.67 110.652 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.44 82.86 12.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 3.92 111.225 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.36 -44.37 1.14 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 4.59 112.004 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -87.25 -9.35 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 8.64 110.633 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -55.19 -29.01 51.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.634 -0.793 . . . . 3.43 112.377 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 183' ' ' LEU . 7.1 mp -105.86 -13.89 15.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 5.71 110.836 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.22 138.81 45.33 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.438 . . . . 4.53 110.998 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.63 146.41 16.88 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.648 2.232 . . . . 3.71 112.439 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.56 -12.01 59.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 6.38 111.428 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.9 t 59.11 -173.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.272 -0.422 . . . . 5.07 110.966 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.77 -92.03 0.49 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 4.32 110.704 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 259' ' ' PHE . 5.7 p-10 -61.33 165.69 4.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.593 -0.276 . . . . 3.78 110.53 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -169.45 171.12 7.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.448 . . . . 3.36 111.25 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.577 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 2.6 m-90 -131.1 147.68 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 4.16 109.826 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.3 t -143.69 141.24 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 1.5 111.995 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -121.1 87.56 44.02 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.819 -0.628 . . . . 2.91 110.247 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . 0.476 ' HA ' HG23 ' A' ' 207' ' ' THR . 59.0 Cg_exo -50.55 129.5 26.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.575 2.183 . . . . 1.48 112.493 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.6 -156.05 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 1.64 112.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 2.75 110.95 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.071 0.462 . . . . 5.02 111.403 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 137' ' ' PRO . 11.6 pt-20 -166.95 43.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.665 -0.698 . . . . 3.98 110.331 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 137' ' ' PRO . 68.0 m -88.64 14.3 10.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 2.48 110.706 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.57 110.78 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 1.8 111.222 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 194' ' ' PRO . 11.4 m -113.11 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.27 110.736 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -109.72 109.93 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 2.43 110.784 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' ILE . . . . . 0.495 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -108.59 145.89 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.45 110.678 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.99 136.49 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 2.12 111.059 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.646 ' HG ' ' H ' ' A' ' 212' ' ' LYS . 11.9 tp -76.2 -177.56 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 3.85 110.501 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . 0.646 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 64.3 tttm -61.56 -55.68 28.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.637 0.256 . . . . 5.85 111.09 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -165.84 70.25 1.24 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 5.91 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.7 126.9 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.549 2.166 . . . . 3.58 112.73 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 11.2 pt -154.72 114.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.033 -0.531 . . . . 4.42 110.736 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.3 m -135.36 102.64 5.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 3.53 111.494 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 90.4 t -146.07 136.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 2.45 110.879 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 222' ' ' VAL . 33.4 t -116.95 177.02 4.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.35 . . . . 3.39 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 37.4 t -80.35 -46.91 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 2.82 110.603 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.74 -18.53 58.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 4.51 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -72.18 -38.38 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 3.92 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.493 HG13 ' HE1' ' A' ' 97' ' ' TRP . 58.7 t -78.58 -27.19 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 2.44 111.233 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 226' ' ' ARG . 42.3 tp -63.93 -18.55 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 2.8 110.943 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -84.99 -31.57 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 3.78 111.015 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.66 -21.11 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 3.33 111.07 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 226' ' ' ARG . . . . . 0.441 ' HD3' HD12 ' A' ' 223' ' ' LEU . 75.5 mtp180 -68.17 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 4.82 110.72 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 227' ' ' LYS . . . . . 0.512 ' HB2' ' NZ ' ' A' ' 167' ' ' LYS . 85.9 mttt -93.57 -15.14 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 3.25 110.828 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.62 158.45 4.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 2.93 110.986 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -139.23 138.3 36.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 2.92 111.117 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 230' ' ' PHE . . . . . 0.484 ' HA ' ' HG2' ' A' ' 240' ' ' MET . 72.7 t80 -61.22 -38.47 86.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.159 -0.473 . . . . 5.3 110.514 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 4.3 110.81 179.721 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 239' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 239' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.605 0.24 . . . . 5.11 110.676 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 240' ' ' MET . . . . . 0.484 ' HG2' ' HA ' ' A' ' 230' ' ' PHE . 0.0 OUTLIER -82.71 44.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 5.21 110.523 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 241' ' ' VAL . . . . . 0.426 HG23 ' OD2' ' A' ' 242' ' ' ASP . 34.1 m -117.74 -173.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 3.44 111.387 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 242' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 241' ' ' VAL . 3.0 m-20 64.93 36.17 7.82 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 3.67 110.681 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.84 48.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 3.74 110.906 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -105.3 142.96 34.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 3.25 110.72 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 245' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 40.3 mmt180 -126.57 153.61 75.35 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 3.78 111.252 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.17 154.76 52.13 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.655 2.237 . . . . 2.43 112.622 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.22 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 3.18 110.721 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 54.2 tt0 -57.44 129.88 80.61 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.621 . . . . 5.35 110.987 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 249' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 22.8 Cg_exo -64.53 124.12 12.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.537 2.158 . . . . 4.02 112.224 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 250' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 31' ' ' VAL . 65.2 mt -78.75 -48.93 13.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.94 110.707 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -166.2 -65.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 6.83 110.697 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -153.56 -66.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.513 . . . . 5.02 110.717 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 63.6 137.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 5.82 111.532 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -102.6 135.54 44.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.061 -0.518 . . . . 3.22 110.764 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 255' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -102.48 129.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 2.02 111.226 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -88.68 87.16 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 2.91 110.588 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.86 167.43 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.46 111.396 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 95.7 p -86.96 -24.94 24.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 2.32 110.454 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 259' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 189' ' ' ASP . 61.3 t80 -111.82 164.22 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 3.3 110.376 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 260' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 68.2 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.189 -0.91 . . . . 4.59 111.266 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.765 0.317 . . . . 32.91 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -63.43 129.49 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 30.03 110.996 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -95.84 104.02 15.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 29.61 110.664 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -63.22 126.47 27.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 26.81 111.007 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -90.15 157.94 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 25.62 110.82 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.82 -18.1 6.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.852 -0.69 . . . . 23.39 112.719 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -124.11 176.95 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 23.38 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.63 64.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.869 -0.681 . . . . 19.99 112.398 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -61.17 -38.89 88.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.734 0.302 . . . . 19.34 110.978 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -76.66 -23.06 53.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 18.14 110.802 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.22 8.07 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 18.74 110.893 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.23 -70.01 1.22 Allowed Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.751 -0.738 . . . . 16.42 112.54 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.73 139.03 61.19 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.516 2.144 . . . . 15.7 112.286 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -147.83 128.41 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 15.32 110.934 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.568 ' H ' ' HB2' ' A' ' 18' ' ' LYS . 45.9 m-70 -129.65 179.9 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 15.63 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.5 m-90 -61.58 -50.64 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.025 0.441 . . . . 11.72 110.705 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -65.26 -38.92 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 12.77 110.791 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.568 ' HB2' ' H ' ' A' ' 15' ' ' HIS . 47.5 mmtm -72.77 -12.49 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 15.94 111.202 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -82.89 -52.35 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 12.96 110.789 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -93.32 153.65 41.49 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 10.55 110.529 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.4 33.68 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.507 2.138 . . . . 9.69 112.621 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 mm -78.26 -43.36 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.008 0.432 . . . . 8.17 110.552 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.45 -28.65 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 9.4 110.69 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -72.9 -17.13 61.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 13.28 110.715 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.26 71.53 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.789 -0.72 . . . . 8.88 112.487 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -83.43 111.2 18.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 8.92 111.008 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -119.05 16.65 13.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.269 0.557 . . . . 9.6 110.201 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 198' ' ' THR . 43.6 tt0 -62.66 94.29 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.719 -0.673 . . . . 6.33 110.777 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 m -159.08 96.37 1.7 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.411 -0.358 . . . . 3.57 111.005 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.51 ' HB2' ' HA ' ' A' ' 247' ' ' ALA . 30.0 Cg_endo -63.91 125.05 14.58 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.355 2.037 . . . . 2.88 112.29 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 249' ' ' PRO . 10.8 p -147.22 148.37 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 2.26 111.178 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.13 138.04 43.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 2.44 110.7 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HB ' HG12 ' A' ' 109' ' ' VAL . 3.5 mp -76.67 130.5 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 1.53 110.736 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 37' ' ' THR . 10.3 m-20 -113.45 124.91 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.049 0.452 . . . . 1.51 111.309 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -80.37 -32.06 37.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.83 -0.623 . . . . 1.95 111.371 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -63.95 -37.85 88.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.876 -0.602 . . . . 3.43 111.569 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -87.37 -15.98 36.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 1.73 111.495 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.74 156.65 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 1.29 111.076 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -134.22 136.46 43.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 3.53 110.855 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -69.91 128.34 36.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.291 -0.413 . . . . 4.17 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.11 91.13 40.1 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 3.04 111.092 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.48 29.29 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.176 . . . . 2.3 112.525 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -77.27 -30.49 54.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.869 0.366 . . . . 3.07 110.898 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.23 160.65 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 3.08 110.829 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -92.48 114.92 63.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 4.28 110.78 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.77 125.78 17.43 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.263 1.975 . . . . 2.41 112.181 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -138.31 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 5.24 110.785 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.5 p -108.19 128.97 55.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 2.67 110.88 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.46 154.25 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 2.44 110.931 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -110.79 151.24 28.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 2.58 110.876 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -173.95 37.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 4.87 111.365 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -92.5 -29.09 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 4.17 110.727 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 76' ' ' LYS . 12.1 mm100 -92.74 -11.42 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.563 . . . . 4.62 111.359 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.533 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.68 120.44 5.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 1.97 111.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -156.65 145.55 20.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 1.9 111.374 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -93.46 164.13 13.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 1.87 110.714 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -122.62 -39.27 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 3.58 111.257 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.7 ptt180 -168.53 169.74 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 4.62 111.113 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -130.56 121.26 50.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 1.72 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 172' ' ' SER . 31.5 tp -112.4 139.66 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 2.58 110.813 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.8 m-20 -100.8 155.63 17.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.247 -0.433 . . . . 1.94 111.125 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -106.74 19.55 20.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 3.13 111.172 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 82.5 14.07 76.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.435 -0.888 . . . . 2.64 112.253 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -175.03 -49.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 4.34 110.603 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.83 137.68 51.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 2.12 110.467 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 55.4 p90 -126.04 155.49 41.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.11 0.481 . . . . 3.39 111.612 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 94' ' ' HIS . 3.1 m-80 -129.27 151.49 49.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.629 -0.714 . . . . 2.57 109.976 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 17.7 m -85.85 129.65 37.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.704 0.288 . . . . 1.95 111.019 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.45 150.02 21.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.368 -0.378 . . . . 3.84 111.233 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -129.6 160.9 31.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 4.12 110.792 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.89 95.55 9.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.398 -0.365 . . . . 3.04 110.949 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 27.1 t70 -76.04 -1.26 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 3.88 110.94 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.3 p -70.82 -0.19 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 3.2 111.193 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' A' ' 53' ' ' GLN . 13.0 pt20 -144.6 177.82 8.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.323 -0.398 . . . . 4.06 111.068 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -88.74 77.99 7.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.206 -0.452 . . . . 2.84 111.196 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 41.5 mtmt -64.29 -82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 3.26 111.335 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -138.75 141.71 38.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.009 -0.541 . . . . 1.42 111.065 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.88 144.87 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.72 111.021 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.64 139.52 48.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 2.3 110.876 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -157.43 147.72 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.995 0.426 . . . . 2.67 110.97 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.17 127.92 1.9 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.973 -0.632 . . . . 2.5 112.035 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.74 -165.56 12.06 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.588 -0.815 . . . . 2.63 112.446 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.97 9.9 3.38 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.756 2.304 . . . . 4.13 112.585 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -56.31 149.1 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.341 -0.39 . . . . 3.0 110.777 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -105.01 17.31 24.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.357 -0.383 . . . . 5.04 111.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.23 143.87 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 1.92 112.614 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -66.06 156.7 33.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 1.68 111.064 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.521 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 91.1 m-85 -114.49 125.24 53.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 3.43 111.304 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -103.54 145.66 29.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 3.79 111.198 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -104.74 143.45 33.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 2.52 110.684 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -120.89 -46.04 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.526 0.565 . . . . 2.47 112.526 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.509 ' N ' HG12 ' A' ' 91' ' ' ILE . 26.5 pt20 -157.02 165.84 35.03 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.894 0.378 . . . . 2.41 111.675 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 44.7 p90 -156.48 161.78 40.01 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.045 -0.525 . . . . 1.57 110.891 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.416 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 p-80 -139.95 167.99 20.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 1.29 110.311 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.544 ' HB3' HD23 ' A' ' 118' ' ' LEU . 30.5 p90 -121.71 144.24 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 3.19 111.452 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 243' ' ' ASN . 11.0 m80 -94.9 173.84 7.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.984 -0.553 . . . . 1.68 109.939 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.573 ' HB2' ' HA ' ' A' ' 241' ' ' VAL . 10.5 m-90 -126.72 179.97 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.811 0.339 . . . . 5.75 111.126 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.7 158.38 21.8 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.998 -0.62 . . . . 3.04 112.408 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.6 m -84.67 -24.48 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.658 0.266 . . . . 4.29 111.291 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 5.2 111.099 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -87.21 38.12 0.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.042 -0.526 . . . . 5.33 111.105 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.8 -33.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.672 -0.775 . . . . 4.18 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -153.95 169.81 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 4.67 110.779 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.59 55.61 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.682 -0.77 . . . . 1.95 112.803 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.6 t -97.01 179.3 4.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.646 0.26 . . . . 2.04 110.58 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.74 -75.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 2.64 110.693 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -95.61 169.6 9.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.11 110.518 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.5 p -129.87 118.4 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 1.88 110.982 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 33' ' ' ILE . 25.5 m -103.0 150.02 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 2.24 111.097 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.4 t70 52.41 39.37 27.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 2.18 110.749 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 55.66 20.8 4.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 3.37 111.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -121.63 150.14 42.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 3.86 110.554 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -120.73 143.8 48.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 2.57 111.083 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.11 176.4 5.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 2.18 110.651 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.94 -44.22 13.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.724 0.297 . . . . 1.72 111.23 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.71 166.78 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.55 110.986 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 8.8 pt-20 -152.26 148.56 27.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.809 0.338 . . . . 2.4 111.315 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.606 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 96.2 mt -86.58 148.08 25.65 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 2.07 110.899 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -122.36 95.35 4.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.162 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.53 HD23 HD23 ' A' ' 143' ' ' LEU . 54.2 tp -99.15 108.95 21.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.895 0.378 . . . . 2.51 111.242 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -92.65 130.51 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 1.83 110.773 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.521 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 9.4 p80 -131.79 153.41 50.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 2.43 110.945 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -133.8 134.54 42.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 3.95 110.652 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -58.1 111.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 2.19 110.704 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 t -71.94 -14.98 62.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 1.77 111.36 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -64.06 -32.02 73.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 3.65 110.632 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -90.83 7.81 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.576 . . . . 4.38 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 90.88 -76.49 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 2.22 112.404 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.78 168.09 20.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 3.07 110.796 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -56.55 -23.13 38.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 3.08 110.806 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -35.32 91.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.596 -0.811 . . . . 2.36 112.154 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -89.8 -21.12 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 3.63 110.664 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.76 -39.4 57.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.059 -0.519 . . . . 1.73 111.095 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.48 -12.44 8.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 2.3 111.085 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.31 -14.41 61.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 3.84 110.858 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -138.2 156.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.012 -0.54 . . . . 3.22 110.7 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.36 -51.03 2.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.426 2.084 . . . . 2.44 112.577 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.08 27.78 0.65 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.05 -0.523 . . . . 2.64 111.524 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.07 -72.35 1.13 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.753 -0.737 . . . . 1.49 112.832 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.27 141.16 46.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 1.76 110.805 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.44 161.65 23.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.98 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 33.6 t -120.43 130.24 74.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 1.3 111.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 209' ' ' ILE . 41.8 tp -93.71 127.52 39.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.177 -0.465 . . . . 2.1 110.444 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -105.99 110.28 3.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.655 -0.783 . . . . 1.4 112.689 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 47.8 mm -100.82 141.57 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.627 0.251 . . . . 1.53 111.032 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -114.74 155.21 27.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 4.48 111.027 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.425 HD11 ' HG ' ' A' ' 118' ' ' LEU . 78.3 mt -124.94 132.54 53.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.461 . . . . 3.25 110.982 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 4.32 110.77 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -84.81 131.7 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 3.13 111.109 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -124.85 -14.12 3.51 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.681 -0.771 . . . . 3.15 112.716 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.1 m 62.38 15.09 7.41 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.98 0.419 . . . . 3.85 110.797 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -120.74 94.26 4.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 3.82 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -56.28 116.68 13.33 Favored Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.395 -0.366 . . . . 5.19 110.829 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.81 36.31 0.61 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.298 1.999 . . . . 3.09 112.609 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.23 56.13 3.31 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.686 -0.769 . . . . 2.71 112.487 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.522 HD22 HG21 ' A' ' 159' ' ' VAL . 84.7 mt -120.07 28.49 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 3.94 110.686 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -52.65 -46.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.904 -0.589 . . . . 3.55 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -64.14 -35.0 79.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 4.82 110.949 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.522 HG21 HD22 ' A' ' 156' ' ' LEU . 61.0 t -61.63 -25.99 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.306 -0.407 . . . . 3.12 110.959 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.67 -31.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 3.14 111.029 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.85 -44.73 72.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 3.01 110.895 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.76 -22.15 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 2.46 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -36.51 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.567 . . . . 2.31 111.322 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.47 -12.67 4.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 2.42 110.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.3 t -82.2 -31.85 30.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 1.85 111.393 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -103.88 51.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.179 0.514 . . . . 2.44 110.903 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.486 ' HA ' HD22 ' A' ' 228' ' ' LEU . 88.4 tttt -64.17 -41.99 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.938 -0.574 . . . . 3.75 110.951 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.5 p -106.67 148.85 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 2.36 111.155 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 2.4 mptp? -80.57 148.19 30.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 3.46 111.148 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.59 -9.63 26.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.931 -0.652 . . . . 2.2 112.514 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -108.08 176.42 5.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 3.33 111.238 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.425 ' HB3' HD12 ' A' ' 60' ' ' LEU . 91.9 p -142.12 168.39 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.869 -0.605 . . . . 2.27 111.053 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -155.95 125.13 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 1.89 110.744 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.34 121.35 16.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 3.74 111.103 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.569 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 45.5 t80 -144.58 109.01 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 4.47 110.508 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.0 t -114.42 -178.54 3.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 4.59 110.948 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.6 m120 61.68 56.82 2.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 6.35 111.246 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -96.3 150.21 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 4.67 110.443 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.47 78.38 11.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 3.92 111.285 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -78.59 -14.32 14.34 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.508 2.139 . . . . 4.59 112.156 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.22 -26.53 33.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 8.64 110.738 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.54 -19.86 36.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.743 . . . . 3.43 112.463 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 -13.08 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.547 0.213 . . . . 5.71 111.358 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 185' ' ' PRO . 46.2 tp -103.13 117.4 60.45 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.675 -0.239 . . . . 4.53 111.27 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.8 Cg_endo -80.04 169.27 17.94 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.483 2.122 . . . . 3.71 112.226 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.16 -43.15 61.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.582 -0.281 . . . . 6.38 111.111 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.2 t 59.09 101.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.846 0.355 . . . . 5.07 111.329 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 85.4 mt -98.99 -53.69 3.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 4.32 110.955 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 8.3 m-20 -104.93 153.08 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 3.78 110.595 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 211' ' ' LEU . 31.0 p90 -169.96 146.52 3.12 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.753 0.311 . . . . 3.36 111.034 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.586 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -72.57 170.24 14.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.409 . . . . 4.16 110.248 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.2 t -147.39 166.76 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 1.5 111.572 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -162.64 75.8 2.04 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 2.91 110.637 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.73 161.16 44.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.461 2.107 . . . . 1.48 112.411 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 156.94 -148.62 18.65 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.664 -0.779 . . . . 1.64 112.638 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 20.3 m -124.39 179.79 4.78 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.744 0.307 . . . . 2.75 110.828 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.2 177.64 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 5.98 110.701 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . 0.516 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 81.5 p -92.29 11.93 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 5.3 110.592 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 47.5 p -102.67 162.05 21.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.686 -0.688 . . . . 4.96 110.711 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 76.4 Cg_exo -40.63 154.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.639 2.226 . . . . 5.64 112.542 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.73 101.47 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.534 2.156 . . . . 6.0 112.343 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.499 ' HB2' HD23 ' A' ' 203' ' ' LEU . 86.1 mt -131.94 -56.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 5.41 110.991 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 202' ' ' LEU . 0.9 OUTLIER -141.3 146.04 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 5.02 111.115 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -128.48 27.33 5.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 3.98 110.425 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 84.2 m -87.91 35.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.917 -0.583 . . . . 2.48 110.735 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.06 125.31 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 1.8 111.578 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.48 149.16 33.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.225 -0.443 . . . . 1.27 110.499 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -113.93 108.41 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 2.43 110.974 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.601 ' HB ' HD12 ' A' ' 143' ' ' LEU . 7.9 mm -104.47 153.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 1.45 111.007 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 191' ' ' TRP . 3.0 p -142.2 123.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.393 . . . . 2.12 111.043 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 190' ' ' TYR . 86.8 mt -87.48 139.22 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 3.85 111.123 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.538 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 21.9 pttp -71.49 -11.87 61.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.529 . . . . 5.85 111.147 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 19.5 mm-40 -120.48 78.18 27.95 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.436 -0.347 . . . . 5.91 111.038 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.89 149.01 86.76 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.678 2.252 . . . . 3.58 112.114 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.487 HD12 HD12 ' A' ' 118' ' ' LEU . 86.4 mt -68.95 130.28 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 4.42 110.656 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 48.2 t -81.75 142.92 32.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 3.53 111.423 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 67.2 t -142.0 140.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.8 -0.636 . . . . 2.45 110.504 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 86.2 p -82.56 148.45 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.027 0.442 . . . . 3.39 111.115 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 97.6 p -65.85 -17.51 64.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.842 -0.617 . . . . 2.82 111.029 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.36 -27.96 61.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 4.51 110.75 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 3.92 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.4 -17.96 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 2.44 111.171 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.447 HD12 ' HD3' ' A' ' 226' ' ' ARG . 57.0 tp -64.67 -21.08 66.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 2.8 110.745 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -83.16 -35.57 25.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 3.78 110.892 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -70.21 -25.04 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 3.33 111.069 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 223' ' ' LEU . 77.0 mtp180 -61.0 -31.59 71.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 4.82 111.2 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -86.14 -15.17 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 3.25 111.38 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 167' ' ' LYS . 84.4 mt -76.73 162.1 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 2.93 111.135 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -81.54 165.84 20.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 2.92 111.123 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 231' ' ' ASN . 46.1 p90 -91.48 -4.94 55.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 5.3 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 230' ' ' PHE . 48.7 t-20 177.54 72.63 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.169 -0.469 . . . . 4.3 110.728 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 75.5 153.53 4.13 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.832 -0.699 . . . . 4.09 112.858 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.79 157.32 35.37 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 7.57 111.202 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.76 -1.61 45.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.949 -0.643 . . . . 6.31 112.535 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -107.89 152.22 41.55 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.528 0.204 . . . . 5.7 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -51.59 137.44 49.53 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.619 2.213 . . . . 6.54 112.403 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 237' ' ' GLU . 9.7 pt-20 -52.8 99.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 6.78 111.2 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -137.12 150.95 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 5.03 110.878 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.95 146.79 54.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 5.11 111.043 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 19.2 ptp -86.52 2.59 47.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 5.21 111.205 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.8 p -66.64 144.53 14.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 3.44 111.09 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.78 38.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.003 -0.544 . . . . 3.67 110.256 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 96' ' ' HIS . 16.0 m120 -135.54 57.0 1.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.902 -0.59 . . . . 3.74 111.603 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -96.56 138.36 34.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.005 0.431 . . . . 3.25 110.793 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.571 ' HD3' ' HD2' ' A' ' 246' ' ' PRO . 21.7 tpp180 -140.98 129.04 12.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 3.78 111.166 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.571 ' HD2' ' HD3' ' A' ' 245' ' ' ARG . 72.1 Cg_endo -75.43 166.9 27.75 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.338 2.025 . . . . 2.43 111.809 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . 0.51 ' HA ' ' HB2' ' A' ' 30' ' ' PRO . . . -173.19 48.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.723 0.297 . . . . 3.18 111.65 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -57.79 130.43 82.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 5.35 110.525 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.589 ' HA ' HG23 ' A' ' 31' ' ' VAL . 83.5 Cg_endo -81.69 123.51 4.27 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.449 2.099 . . . . 4.02 112.898 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 45.3 tp -80.53 -48.66 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 3.94 110.311 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.75 -52.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.514 -0.766 . . . . 6.83 110.465 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 57.69 90.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 5.02 111.233 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -76.05 -65.56 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 5.82 110.447 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -144.58 136.15 25.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 3.22 110.436 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.413 HG22 HG23 ' A' ' 37' ' ' THR . 15.3 tt -111.29 135.13 51.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 2.02 111.278 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.81 137.4 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 2.91 110.764 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.01 142.86 7.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.364 -0.38 . . . . 1.46 111.248 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 37.9 t -77.9 -20.5 52.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 2.32 110.225 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 91.2 t80 -111.95 147.12 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 3.3 110.559 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.148 -0.929 . . . . 4.59 111.101 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.467 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.808 0.337 . . . . 32.91 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -126.18 -66.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 30.03 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 57.85 86.77 0.07 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.142 -0.481 . . . . 29.61 110.988 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -153.43 132.45 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 26.81 110.914 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -118.93 163.52 16.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 25.62 110.808 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.13 53.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 23.39 112.548 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.37 -61.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 23.38 110.785 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.72 61.93 5.47 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 19.99 112.545 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -77.63 -25.26 49.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.892 0.377 . . . . 19.34 110.713 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -85.14 -18.54 33.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 18.14 110.685 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -77.01 -13.46 59.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 18.74 110.65 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.03 144.57 3.95 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.737 -0.744 . . . . 16.42 112.486 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 145.41 35.2 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.537 2.158 . . . . 15.7 112.26 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -142.69 98.37 3.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 15.32 111.036 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -165.45 39.12 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 15.63 111.05 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -73.38 -31.53 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 11.72 111.021 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 11.8 p-80 -79.08 -6.0 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 12.77 111.447 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -85.36 5.87 28.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 15.94 110.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -152.57 -64.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 12.96 110.855 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -93.15 146.79 32.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 10.55 110.912 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.88 39.44 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.502 2.135 . . . . 9.69 112.284 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.5 mm -81.68 -55.58 7.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.465 . . . . 8.17 110.904 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.11 -17.71 32.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 9.4 111.149 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HE2' ' HB2' ' A' ' 17' ' ' HIS . 17.7 tppt? -70.32 -17.27 63.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.864 0.364 . . . . 13.28 110.488 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.03 -177.22 21.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 8.88 112.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' H ' ' NH2' ' A' ' 253' ' ' ARG . 40.6 mt-10 57.41 91.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 8.92 110.931 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -111.43 15.57 21.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.006 -0.543 . . . . 9.6 110.724 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 61.85 71.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 6.33 110.949 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 75.8 p -124.1 144.36 45.1 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 3.57 110.654 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 18.6 Cg_exo -66.04 124.97 13.35 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.487 2.125 . . . . 2.88 112.37 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.3 p -150.84 172.04 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.26 110.78 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.3 p-10 -91.94 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 2.44 110.601 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.563 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 3.9 mp -83.79 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.53 111.099 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -111.16 129.49 55.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.646 . . . . 1.51 111.248 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.5 m -56.77 -19.24 15.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 1.95 110.681 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -79.0 -41.11 29.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 3.43 111.41 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.53 -21.35 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 1.73 111.235 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.13 157.78 24.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 1.29 111.006 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -126.33 141.87 51.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 3.53 110.777 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -86.87 97.93 10.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 4.17 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 5.6 p-10 -129.24 111.07 18.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 3.04 110.807 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 18.1 Cg_endo -58.97 90.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.504 2.136 . . . . 2.3 112.441 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -74.92 -45.62 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 3.07 110.599 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.69 150.18 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.08 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -107.05 116.32 58.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 4.28 110.907 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.84 125.8 20.18 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.05 1.833 . . . . 2.41 111.453 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.44 -0.345 . . . . 5.24 111.028 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 40.6 t -133.29 140.6 47.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.67 110.83 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 79' ' ' LEU . 2.9 p -161.88 113.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 2.44 110.94 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 30.7 t -112.04 117.86 33.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 2.58 110.794 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -150.81 22.49 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.238 0.542 . . . . 4.87 110.324 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.47 -39.56 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.762 -0.654 . . . . 4.17 110.37 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -85.79 -8.65 57.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.895 -0.593 . . . . 4.62 110.636 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -48.32 120.45 3.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.282 -0.417 . . . . 1.97 110.8 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 178' ' ' PHE . 48.2 m -148.45 143.38 26.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.947 0.403 . . . . 1.9 111.369 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -96.84 155.94 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.928 -0.578 . . . . 1.87 110.497 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.4 mt -111.83 -39.02 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 3.58 111.291 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 38.3 ptt180 -160.91 165.54 29.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.971 0.415 . . . . 4.62 111.08 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 68' ' ' VAL . 6.7 tt -131.72 111.92 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 1.72 110.73 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.8 mt -104.09 157.44 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 2.58 111.167 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' CG ' ' H ' ' A' ' 170' ' ' GLY . 12.1 p30 -126.5 157.41 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.996 -0.547 . . . . 1.94 110.778 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -106.5 22.97 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.875 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.44 14.55 65.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.274 -0.965 . . . . 2.64 112.519 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -168.29 -52.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 4.34 110.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -114.99 147.12 40.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.689 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 59' ' ' ILE . 40.0 p90 -120.47 139.7 52.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.252 -0.431 . . . . 3.39 111.191 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -129.11 153.09 48.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 2.57 110.818 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.482 HG12 ' HB ' ' A' ' 59' ' ' ILE . 3.1 m -114.99 116.59 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.95 111.267 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 37.8 tt0 -95.77 149.87 21.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.926 0.393 . . . . 3.84 111.141 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -115.58 159.69 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 4.12 110.739 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 16.0 t70 -83.02 98.08 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 3.04 110.793 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -112.44 30.64 6.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 3.88 111.144 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.7 m -60.87 -25.91 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.2 111.048 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.7 tp-100 -141.92 -68.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 4.06 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 31.5 m-20 -150.8 137.41 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 2.84 110.703 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.677 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 12.7 tppt? -158.14 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 3.26 110.805 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -141.2 123.63 15.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 1.42 111.037 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.07 148.31 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.72 111.01 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' A' ' 90' ' ' LEU . 76.0 mt -117.75 124.54 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.448 -0.342 . . . . 2.3 110.391 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 97.1 mttt -127.04 164.11 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 2.67 111.211 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.79 165.85 20.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.039 -0.601 . . . . 2.5 112.245 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.67 179.36 47.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.389 -0.91 . . . . 2.63 112.38 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.87 -36.73 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.622 2.215 . . . . 4.13 112.553 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -55.38 148.91 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.164 -0.471 . . . . 3.0 111.267 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.9 15.84 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 5.04 110.638 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.97 78.48 1.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 1.92 112.582 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 t -58.58 149.6 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 1.68 111.03 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -112.41 116.98 31.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.273 -0.421 . . . . 3.43 110.853 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 123' ' ' TRP . 24.9 ptt180 -102.41 135.28 44.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 3.79 110.899 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' A' ' 79' ' ' LEU . 1.4 mm? -90.82 139.35 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 2.52 110.421 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 2.47 111.553 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 13.9 pt20 -159.35 161.76 35.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.597 -0.274 . . . . 2.41 111.065 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.47 157.46 45.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.391 . . . . 1.57 110.968 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -124.18 168.73 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.983 -0.553 . . . . 1.29 110.832 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -110.68 151.76 27.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.343 -0.39 . . . . 3.19 111.259 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.417 ' HD1' ' HB2' ' A' ' 243' ' ' ASN . 31.7 m-70 -116.94 173.09 6.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.084 -0.507 . . . . 1.68 110.057 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -167.5 150.38 6.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 5.75 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 241' ' ' VAL . . . -117.69 -153.95 9.77 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.903 -0.665 . . . . 3.04 112.397 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -90.36 -26.28 20.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 4.29 110.996 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.98 150.79 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 5.2 110.884 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.06 8.01 11.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 5.33 110.728 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.33 -26.89 11.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 4.18 111.857 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -153.42 155.66 36.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 4.67 111.101 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.42 70.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 1.95 112.463 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.4 p -167.91 165.86 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 2.04 110.996 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 39.1 mt-10 -83.11 -76.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 2.64 110.702 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -81.87 162.82 22.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 2.11 110.586 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 32' ' ' ASP . 26.4 p -145.42 88.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 1.88 111.185 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.563 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.7 m -77.75 159.29 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 2.24 111.36 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.61 23.79 6.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.854 -0.612 . . . . 2.18 110.856 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt 59.74 10.81 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.57 . . . . 3.37 111.371 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -93.24 154.47 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 3.86 111.001 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -106.33 154.77 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 2.57 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -130.41 134.92 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.18 110.528 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.02 -44.43 11.58 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.97 0.414 . . . . 1.72 110.977 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -122.35 162.12 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 1.55 110.214 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -152.8 139.89 19.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.017 0.436 . . . . 2.4 112.096 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.713 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 53.5 mt -86.84 148.03 25.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 2.07 110.349 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.98 95.72 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.314 . . . . 1.71 111.114 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 143' ' ' LEU . 63.6 tp -98.49 139.56 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 2.51 110.38 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -116.56 136.26 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 1.83 111.541 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -131.97 134.11 45.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 2.43 110.531 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 2.7 m0 -130.57 120.72 24.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 3.95 110.355 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -55.42 142.91 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 2.19 111.082 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.0 t -82.09 -14.28 56.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.77 111.186 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -48.56 -36.28 15.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.979 -0.555 . . . . 3.65 111.841 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.433 ' C ' ' H ' ' A' ' 129' ' ' ASP . 9.9 p90 -100.03 -30.3 12.05 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.834 -0.346 . . . . 4.38 111.633 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.34 -22.55 0.63 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.82 -0.705 . . . . 2.22 113.336 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 127' ' ' TYR . 6.8 p-10 -141.88 147.92 37.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.994 0.397 . . . . 3.07 111.226 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.13 -21.1 65.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.853 -0.612 . . . . 3.08 110.866 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -63.19 -39.84 98.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 2.36 112.278 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.467 ' HA ' HE21 ' A' ' 135' ' ' GLN . 63.5 mttp -89.86 -18.27 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.798 0.332 . . . . 3.63 111.022 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.13 -42.42 66.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 1.73 111.066 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.0 -12.45 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 2.3 111.586 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.467 HE21 ' HA ' ' A' ' 132' ' ' LYS . 39.9 mt-30 -72.32 2.2 6.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.332 . . . . 3.84 111.019 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -152.91 145.47 17.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 3.22 110.798 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.66 -16.25 42.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.694 2.263 . . . . 2.44 112.213 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.11 21.06 18.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 2.64 111.058 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.16 -80.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 1.49 112.812 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.23 135.87 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 1.76 111.018 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -114.58 165.2 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.619 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.39 130.42 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.943 0.401 . . . . 1.3 111.552 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.445 HD23 HD23 ' A' ' 120' ' ' LEU . 49.5 tp -86.02 143.89 27.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 2.1 110.682 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.07 109.78 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.866 -0.683 . . . . 1.4 112.309 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 63.1 mt -104.91 141.47 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 1.53 110.848 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.74 152.08 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 4.48 111.148 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' A' ' 118' ' ' LEU . 81.4 mt -129.47 134.04 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 3.25 110.667 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -114.92 134.54 55.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 4.32 110.957 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.6 148.59 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 3.13 111.047 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 106.58 51.29 0.81 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.745 -0.741 . . . . 3.15 112.735 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.1 m -129.5 131.58 46.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.657 0.265 . . . . 3.85 110.637 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.65 103.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.372 . . . . 3.82 111.156 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 157' ' ' GLN . 4.7 ttpm? -55.64 118.51 19.87 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 5.19 111.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.01 -21.75 9.18 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.3 2.0 . . . . 3.09 112.347 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.19 56.57 0.01 OUTLIER Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.852 -0.69 . . . . 2.71 112.596 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.28 19.31 14.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.743 0.306 . . . . 3.94 110.861 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' HB2' ' HE3' ' A' ' 153' ' ' LYS . 10.5 tt0 -59.84 -21.41 60.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 3.55 110.961 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -56.77 -25.77 56.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 4.82 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.21 -31.22 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.306 -0.406 . . . . 3.12 110.809 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.96 -30.9 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 3.14 110.904 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 -38.89 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 3.01 110.629 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.9 t -69.2 -24.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.965 -0.562 . . . . 2.46 111.082 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -32.34 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 2.31 111.0 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.92 -12.63 11.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 2.42 110.869 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 49.4 m -85.37 -26.15 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 1.85 111.093 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.19 51.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.227 0.537 . . . . 2.44 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.3 -47.14 65.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 3.75 110.416 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 31.4 p -118.51 136.74 53.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 2.36 111.145 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -74.46 147.36 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.667 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 61' ' ' ASN . . . 111.74 -18.69 24.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.891 -0.671 . . . . 2.2 112.776 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -97.02 154.45 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.872 0.368 . . . . 3.33 110.845 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 93.7 p -98.24 161.63 13.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 2.27 111.215 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.52 118.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 1.89 110.746 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -82.54 143.07 31.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.384 . . . . 3.74 111.507 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.416 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 84.8 t80 -156.52 105.04 2.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 4.47 110.481 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.9 t -118.7 -174.74 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 4.59 111.146 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 65.34 56.85 0.95 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 6.35 110.856 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . 0.549 ' H ' HG23 ' A' ' 55' ' ' THR . 64.3 t80 -99.38 136.01 39.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 4.67 110.659 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.4 92.39 11.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.352 -0.385 . . . . 3.92 111.108 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.44 -13.25 15.12 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.714 2.276 . . . . 4.59 112.646 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.411 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 70.5 ttt180 -63.16 -18.75 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 8.64 110.578 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -59.39 -31.02 69.06 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.757 -0.735 . . . . 3.43 112.455 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -119.52 18.98 12.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.599 0.238 . . . . 5.71 111.162 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' A' ' 185' ' ' PRO . 52.5 tp -51.96 116.53 8.35 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.332 -0.395 . . . . 4.53 110.95 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.491 ' HD2' HD12 ' A' ' 184' ' ' LEU . 85.7 Cg_endo -77.79 165.22 26.97 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.479 2.119 . . . . 3.71 112.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.66 -23.31 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.918 -0.583 . . . . 6.38 110.883 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.7 m 55.09 90.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 5.07 111.182 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 20.0 tp -144.09 -79.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 4.32 110.489 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 20.0 m-20 -79.0 172.82 13.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 3.78 110.657 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -147.05 179.1 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 3.36 110.756 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.673 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 t-105 -148.14 131.11 16.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 4.16 109.939 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 9.3 t -133.9 165.89 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.953 0.406 . . . . 1.5 111.875 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -159.4 73.56 3.34 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.971 -0.559 . . . . 2.91 110.602 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.564 ' HA ' HG23 ' A' ' 207' ' ' THR . 57.7 Cg_endo -72.34 129.32 14.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.484 2.122 . . . . 1.48 112.411 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -138.19 -145.56 4.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.786 -0.721 . . . . 1.64 112.497 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 21.5 m -114.04 179.32 3.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.642 0.258 . . . . 2.75 110.65 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 205' ' ' CYS . 88.7 mt -59.67 176.57 0.27 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 5.98 110.906 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . 0.464 HG23 HG23 ' A' ' 199' ' ' THR . 5.3 t -58.69 -30.23 67.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.188 0.518 . . . . 5.3 110.097 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.568 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 36.8 p -90.29 165.95 21.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 4.96 110.082 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 65.7 Cg_exo -39.23 155.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.476 2.117 . . . . 5.64 112.663 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -34.24 104.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.279 2.653 . . . . 6.0 113.383 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 197' ' ' LEU . 44.7 tp -132.46 -41.94 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.918 -0.583 . . . . 5.41 111.154 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 205' ' ' CYS . 20.4 tp -170.89 156.95 5.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.43 -0.35 . . . . 5.02 110.694 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.92 27.09 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 3.98 110.711 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . 0.538 ' HB3' HD21 ' A' ' 197' ' ' LEU . 46.3 t -49.8 -34.95 21.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 2.48 111.001 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.6 123.31 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 1.8 110.693 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 194' ' ' PRO . 23.7 m -113.17 142.33 45.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 1.27 111.458 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -98.92 108.4 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.0 -0.545 . . . . 2.43 110.204 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.3 mp -104.63 151.81 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 1.45 110.817 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.36 125.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 2.12 110.906 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.86 162.23 4.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 3.85 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.514 ' HG3' ' HG2' ' A' ' 213' ' ' GLU . 14.8 ptmm? -57.68 -44.79 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.304 . . . . 5.85 110.908 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 212' ' ' LYS . 10.7 pt-20 -139.65 130.72 14.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 5.91 110.876 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -84.67 157.0 12.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.622 2.214 . . . . 3.58 112.404 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.6 mm -80.38 142.49 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 4.42 110.652 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -98.36 138.7 35.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 3.53 111.595 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 14.2 t -116.43 154.28 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.835 -0.62 . . . . 2.45 110.319 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.578 ' H ' HE21 ' A' ' 221' ' ' GLN . 84.8 p -109.84 149.89 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 3.39 110.915 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.8 t -59.71 -15.57 20.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 2.82 110.807 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.14 -35.66 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 4.51 110.215 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.578 HE21 ' H ' ' A' ' 218' ' ' SER . 23.5 mt-30 -68.96 -24.58 64.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.92 110.598 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 226' ' ' ARG . 27.7 m -112.64 10.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 2.44 111.172 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 48.3 tp -68.16 -42.24 80.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 2.8 110.743 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.411 ' HD2' ' HE2' ' A' ' 227' ' ' LYS . 31.2 mmmt -84.29 -14.38 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 3.78 111.054 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . 0.432 ' HA ' HD13 ' A' ' 228' ' ' LEU . 33.0 t80 -74.93 -32.04 61.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 3.33 111.023 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 77.1 mtm180 -62.25 -25.17 67.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 4.82 111.027 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.411 ' HE2' ' HD2' ' A' ' 224' ' ' LYS . 66.7 mttm -70.49 -10.04 58.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 3.25 110.89 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 225' ' ' PHE . 8.0 mp -95.08 162.25 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 2.93 110.995 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.1 170.14 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 2.92 110.524 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -49.86 -47.07 51.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.866 0.365 . . . . 5.3 110.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -112.88 162.74 15.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.558 . . . . 4.3 110.655 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -75.15 -167.19 20.18 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.813 -0.708 . . . . 4.09 112.674 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.88 157.38 37.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 7.57 111.09 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 100.29 1.54 55.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.852 -0.689 . . . . 6.31 112.431 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.45 156.29 69.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.479 0.181 . . . . 5.7 110.706 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.78 160.79 3.62 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.559 2.172 . . . . 6.54 112.347 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.0 109.15 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 6.78 111.039 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -102.95 149.72 24.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 5.03 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.77 116.19 16.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 5.11 110.634 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -20.41 56.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.955 0.407 . . . . 5.21 110.7 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.408 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 11.5 p -83.27 145.57 8.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 3.44 110.737 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.6 t70 179.52 -36.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.451 -0.341 . . . . 3.67 111.097 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.417 ' HB2' ' HD1' ' A' ' 96' ' ' HIS . 14.2 t-20 -85.17 26.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 3.74 111.29 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -97.36 132.92 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 3.25 110.369 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.547 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 4.1 mmp_? -141.22 155.74 67.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 3.78 111.323 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.56 172.96 14.94 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 2.43 112.007 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -135.15 31.83 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 3.18 111.061 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.96 122.56 72.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 5.35 110.8 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.07 128.85 10.14 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.433 2.089 . . . . 4.02 112.382 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.748 HD23 ' H ' ' A' ' 250' ' ' LEU . 2.0 pt? -76.45 -35.68 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 3.94 110.648 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -160.06 -64.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 6.83 110.503 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -172.31 -66.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 5.02 110.664 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . 0.449 ' NH2' ' H ' ' A' ' 26' ' ' GLU . 20.8 mmm180 61.31 146.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.118 -0.492 . . . . 5.82 111.578 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.46 145.88 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.003 -0.544 . . . . 3.22 110.613 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 14.4 tt -116.1 143.81 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 2.02 111.589 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 256' ' ' LYS . 3.5 mptp? -109.6 120.41 42.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.514 . . . . 2.91 110.587 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.673 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -138.37 162.98 33.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 1.46 110.86 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 42.5 t -70.47 -23.12 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.32 110.201 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.53 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 68.1 t80 -111.83 146.3 37.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.711 -0.677 . . . . 3.3 110.801 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.139 -0.934 . . . . 4.59 111.123 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.377 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.799 0.333 . . . . 32.91 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -117.39 150.08 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 30.03 110.888 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -115.78 130.59 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 29.61 111.036 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.31 139.67 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 26.81 110.734 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -140.21 125.23 18.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 25.62 110.686 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.1 -18.73 46.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 23.39 112.344 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.5 178.45 4.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.697 0.284 . . . . 23.38 110.61 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.42 -4.83 1.79 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.62 -0.8 . . . . 19.99 112.609 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -74.92 -39.79 61.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 19.34 110.749 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -92.66 -27.69 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 18.14 110.704 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.89 4.69 51.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.555 . . . . 18.74 110.778 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.08 -72.26 1.28 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.772 -0.728 . . . . 16.42 112.427 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.45 142.29 71.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.43 2.087 . . . . 15.7 112.054 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -131.06 97.3 4.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 15.32 110.982 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 54.55 89.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 15.63 111.372 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -72.03 -14.65 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 11.72 110.609 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -85.14 -36.42 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 12.77 110.721 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -85.48 -3.63 58.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 15.94 110.843 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.6 -63.88 1.27 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 12.96 111.081 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -82.3 143.43 48.42 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.348 -0.387 . . . . 10.55 111.046 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.44 20.86 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.687 2.258 . . . . 9.69 112.704 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.77 -49.82 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 8.17 110.369 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.22 -27.78 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.557 . . . . 9.4 110.323 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -77.13 -15.33 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 13.28 110.489 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.0 -140.53 3.79 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.81 -0.709 . . . . 8.88 112.565 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 63.35 19.4 11.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.876 0.369 . . . . 8.92 110.946 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -96.36 -5.99 38.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 9.6 110.22 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.74 145.31 49.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.854 -0.612 . . . . 6.33 111.081 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.31 153.53 23.69 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.241 -0.436 . . . . 3.57 110.82 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.69 128.67 31.31 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.515 2.143 . . . . 2.88 112.251 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -144.24 176.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 2.26 110.796 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 61.3 m-20 -85.55 98.6 10.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 2.44 110.787 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.9 mp -83.74 139.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 1.53 110.73 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.3 m-20 -113.13 129.09 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 1.51 110.888 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.8 p -72.9 -8.33 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 1.95 110.704 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -88.67 -39.46 14.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.851 -0.613 . . . . 3.43 110.712 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.537 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.1 t -76.28 -20.75 57.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.73 111.005 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.04 157.65 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 1.29 110.947 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -119.25 146.02 45.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.451 -0.34 . . . . 3.53 111.028 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 260' ' ' LYS . 38.1 p90 -76.88 132.96 39.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 4.17 110.94 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -130.29 92.45 35.75 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 3.04 111.369 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -78.69 12.65 2.12 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.506 2.137 . . . . 2.3 112.405 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 m -74.93 -7.57 53.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 3.07 110.959 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 258' ' ' SER . 4.6 mp -105.18 113.04 26.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.542 . . . . 3.08 110.662 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 37.5 mtmm -78.67 158.5 75.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 4.28 110.874 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 12.1 Cg_endo -55.4 140.36 82.36 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.494 2.13 . . . . 2.41 112.149 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.6 pt? -99.38 160.45 14.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 5.24 111.404 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -127.85 109.74 11.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.788 -0.642 . . . . 2.67 110.601 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 m -107.85 148.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 2.44 111.589 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -113.23 137.91 50.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.227 -0.442 . . . . 2.58 110.731 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -171.54 37.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 4.87 111.143 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.02 -19.97 46.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 4.17 110.027 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -117.07 1.82 12.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.716 -0.675 . . . . 4.62 110.836 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -52.38 124.61 13.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.458 -0.337 . . . . 1.97 110.97 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 178' ' ' PHE . 51.7 m -152.81 144.28 23.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.996 0.427 . . . . 1.9 111.739 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.4 m -92.46 150.02 21.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.835 -0.62 . . . . 1.87 110.346 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.65 -38.39 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 3.58 111.479 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -161.31 157.93 26.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 4.62 111.326 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.8 mt -121.21 119.3 58.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 1.72 110.744 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 tp -108.79 153.97 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 2.58 110.519 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HG3' ' A' ' 169' ' ' LYS . 0.9 OUTLIER -95.06 153.22 17.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 1.94 111.156 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -106.69 23.18 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 3.13 111.314 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.93 11.11 84.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.472 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -179.54 -49.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 4.34 110.926 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.71 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 2.12 110.876 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' HE1' HD13 ' A' ' 228' ' ' LEU . 24.8 m-85 -120.2 133.74 55.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 3.39 110.737 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -133.32 146.84 51.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.689 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -111.91 133.04 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 1.95 111.013 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.639 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 40.3 tt0 -105.11 142.0 35.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.964 0.411 . . . . 3.84 111.327 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -117.57 147.47 42.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.796 -0.638 . . . . 4.12 110.629 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.98 101.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.474 -0.33 . . . . 3.04 110.514 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -96.16 0.27 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 3.88 111.126 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.425 ' HB3' HE22 ' A' ' 74' ' ' GLN . 48.1 t -58.05 -29.15 65.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 3.2 110.695 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.425 HE22 ' HB3' ' A' ' 73' ' ' SER . 1.9 mp0 -129.08 177.12 7.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.926 -0.579 . . . . 4.06 110.566 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.96 78.12 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 2.84 110.589 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG2' ' HA ' ' A' ' 54' ' ' ALA . 41.3 tttt -88.23 -61.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 3.26 111.032 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -149.07 118.39 6.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.242 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -127.07 161.57 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.72 111.233 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 90' ' ' LEU . 1.4 mm? -119.4 120.92 38.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 2.3 110.874 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -145.54 164.57 31.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.787 0.327 . . . . 2.67 110.936 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.68 -167.54 13.46 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.866 -0.683 . . . . 2.5 112.478 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.75 -159.84 36.76 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.775 -0.726 . . . . 2.63 112.64 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.49 -42.06 2.05 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.534 2.156 . . . . 4.13 112.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 84' ' ' LEU . 2.6 pt? -80.73 156.42 26.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.937 -0.574 . . . . 3.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.63 10.74 39.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 5.04 111.148 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.07 126.22 7.98 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.762 -0.732 . . . . 1.92 112.527 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 t -94.02 133.53 37.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 1.68 111.253 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 83.2 m-85 -113.17 140.21 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 3.43 110.686 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -101.53 140.25 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 3.79 110.797 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.548 HD23 HD21 ' A' ' 79' ' ' LEU . 4.0 pp -82.94 142.11 31.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.464 -0.335 . . . . 2.52 110.675 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.719 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.4 mp -116.38 -73.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.486 -0.325 . . . . 2.47 111.36 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.719 ' HG3' HG22 ' A' ' 91' ' ' ILE . 44.9 mt-30 -150.69 157.57 43.12 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.647 0.26 . . . . 2.41 111.013 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 27.8 p90 -138.76 148.84 44.35 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.993 0.425 . . . . 1.57 110.894 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.3 p-80 -128.08 168.19 15.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.29 110.761 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -111.29 158.25 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 3.19 111.185 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -116.7 168.96 9.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 1.68 110.735 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.485 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 62.3 t-105 -172.14 92.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.535 . . . . 5.75 110.24 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.9 161.74 0.93 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.994 -0.622 . . . . 3.04 112.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.513 ' HB3' ' H ' ' A' ' 242' ' ' ASP . 89.1 p -72.64 -18.25 61.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.348 . . . . 4.29 110.933 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.94 146.21 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.615 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.97 26.87 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.335 -0.393 . . . . 5.33 110.708 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.93 -44.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 4.18 112.601 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -158.81 169.8 23.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.885 0.374 . . . . 4.67 111.108 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.07 89.68 0.08 OUTLIER Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.918 -0.658 . . . . 1.95 112.535 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -158.08 172.84 17.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.674 0.273 . . . . 2.04 110.851 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 245' ' ' ARG . 43.5 mt-10 -75.96 -86.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.49 -0.323 . . . . 2.64 111.391 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -70.85 169.55 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 2.11 111.213 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 43.5 m -143.78 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 1.88 110.892 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.03 153.61 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 2.24 111.305 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.8 t70 55.63 27.85 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.793 -0.64 . . . . 2.18 110.843 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm 57.83 16.22 3.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.968 -0.56 . . . . 3.37 111.369 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -118.64 127.13 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 3.86 110.541 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -94.38 155.65 16.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 2.57 110.819 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.86 153.0 23.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 2.18 110.869 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.78 23.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.355 -0.384 . . . . 1.72 111.417 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.88 152.87 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.55 110.561 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 10.6 pt-20 -152.55 137.37 17.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 2.4 111.841 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.1 mt -86.76 147.85 25.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 2.07 110.354 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -127.58 97.04 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 1.71 111.491 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 70.1 tp -93.46 123.82 37.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.31 -0.404 . . . . 2.51 110.597 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.23 146.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.815 0.341 . . . . 1.83 111.389 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 69.4 m-70 -129.71 163.19 26.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 2.43 110.861 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -171.44 120.58 0.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.216 -0.447 . . . . 3.95 110.771 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -57.1 123.25 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 2.19 111.033 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -84.9 -15.18 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.77 111.555 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -56.38 -27.26 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 3.65 110.91 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -78.13 -28.73 48.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.517 . . . . 4.38 110.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.11 -46.76 3.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 2.22 112.737 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -137.09 157.54 46.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 3.07 110.904 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 48.7 p90 -63.88 -19.61 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 3.08 111.135 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.24 -49.11 78.96 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.655 -0.784 . . . . 2.36 112.622 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -21.3 23.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 3.63 110.78 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -67.24 -41.19 86.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.73 111.223 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 130' ' ' PHE . 24.3 m -65.16 -9.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 2.3 111.588 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 3.84 110.747 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.632 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 29.6 tt0 -79.12 135.64 58.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 3.22 110.39 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 53.1 Cg_exo -54.8 -18.06 15.21 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.625 2.217 . . . . 2.44 112.801 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.632 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 32.3 t70 -117.61 -12.76 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.574 -0.285 . . . . 2.64 111.314 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 49.33 -102.69 0.06 OUTLIER Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.944 -0.646 . . . . 1.49 112.737 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -102.58 166.99 10.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.65 0.262 . . . . 1.76 110.578 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -116.24 149.75 38.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.702 0.287 . . . . 0.98 111.121 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 206' ' ' VAL . 46.6 t -122.34 111.6 31.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 1.3 111.356 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 212' ' ' LYS . 52.5 tp -88.94 108.8 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 2.1 110.686 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -88.53 110.38 3.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 1.4 112.598 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 68.1 mt -100.16 139.82 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.983 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -117.37 135.05 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 4.48 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 90.8 mt -101.94 140.32 36.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 3.25 111.14 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -118.92 134.99 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 4.32 110.731 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.88 147.33 12.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 3.13 110.85 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.35 141.65 12.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.813 -0.708 . . . . 3.15 112.345 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.3 t 61.25 72.44 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 3.85 110.405 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . -62.72 -169.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 3.82 111.712 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.579 ' HD3' ' HB2' ' A' ' 156' ' ' LEU . 16.7 ptpt -59.3 153.61 46.86 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.762 -0.654 . . . . 5.19 111.277 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.76 -12.22 35.07 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.682 2.255 . . . . 3.09 112.159 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 137.48 62.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.689 -0.767 . . . . 2.71 112.693 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.579 ' HB2' ' HD3' ' A' ' 153' ' ' LYS . 64.5 mt -121.25 27.53 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 3.94 110.626 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.64 -21.54 7.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.878 -0.601 . . . . 3.55 111.566 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -56.74 -32.27 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 4.82 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 41.4 t -73.06 -29.97 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 3.12 111.05 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 225' ' ' PHE . 58.6 t -64.67 -20.64 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 3.14 111.072 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.95 -19.94 31.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 3.01 110.984 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.27 -57.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 2.46 111.414 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.35 -20.4 57.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 2.31 110.955 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.482 ' HA ' ' HD3' ' A' ' 167' ' ' LYS . 17.4 t70 -49.6 -19.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.807 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.4 t -88.24 -43.56 11.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.85 110.735 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 6.0 pt -93.81 50.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 2.44 111.361 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 164' ' ' ASP . 32.6 mmmt -59.54 -48.85 80.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 3.75 110.993 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 75.3 p -70.37 143.79 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 2.36 111.002 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.63 148.18 30.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 3.46 110.98 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.79 -26.5 10.66 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.014 -0.612 . . . . 2.2 112.365 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -104.46 176.48 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 3.33 110.808 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.5 p -149.51 155.31 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.943 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -125.65 135.03 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.568 . . . . 1.89 110.899 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -90.85 117.51 29.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.457 -0.338 . . . . 3.74 111.018 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.17 111.9 10.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 4.47 110.649 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.6 t -109.22 177.74 4.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 4.59 110.939 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 60.11 57.2 3.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 6.35 110.959 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . 0.608 ' H ' HG23 ' A' ' 55' ' ' THR . 53.6 t80 -88.6 136.16 33.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.572 . . . . 4.67 110.556 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . 0.602 ' HB3' ' HG2' ' A' ' 181' ' ' ARG . 12.3 m-20 -68.59 111.13 7.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.351 -0.386 . . . . 3.92 111.032 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.7 -10.29 28.29 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.575 2.183 . . . . 4.59 112.262 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.602 ' HG2' ' HB3' ' A' ' 179' ' ' ASP . 15.6 ptp180 -70.31 -28.31 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 8.64 110.632 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -68.02 -9.44 56.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.702 -0.761 . . . . 3.43 112.277 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.0 tp -99.24 -13.89 19.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 5.71 110.745 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 181' ' ' ARG . 90.4 mt -56.1 125.98 65.68 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 4.53 110.906 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.97 140.01 19.87 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.469 2.113 . . . . 3.71 112.458 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -75.74 -22.17 56.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 6.38 110.804 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 79.9 p -157.06 150.53 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 5.07 110.834 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.03 126.35 52.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.299 -0.409 . . . . 4.32 110.689 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.598 ' HB3' HD23 ' A' ' 211' ' ' LEU . 8.4 m-20 -133.12 175.8 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 3.78 110.871 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 258' ' ' SER . 63.1 m-85 -142.58 143.14 32.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.375 . . . . 3.36 110.619 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.63 ' HB2' HD22 ' A' ' 211' ' ' LEU . 10.0 t-105 -172.25 120.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 4.16 110.598 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 5.7 t -119.35 147.92 43.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 1.5 110.802 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -167.45 86.72 0.77 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.14 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.406 ' HA ' HG23 ' A' ' 207' ' ' THR . 52.8 Cg_endo -69.6 128.35 16.04 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.32 2.014 . . . . 1.48 112.004 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.73 -160.98 10.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.496 -0.859 . . . . 1.64 112.858 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 40.1 m -152.75 -177.5 6.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 2.75 110.516 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 197' ' ' LEU . 7.6 mp -82.95 173.92 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.593 -0.276 . . . . 5.98 110.853 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 86.7 m -68.7 -32.33 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.973 0.416 . . . . 5.3 110.632 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 200' ' ' PRO . 6.2 t -124.02 138.62 30.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 4.96 110.905 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 199' ' ' THR . 25.1 Cg_exo -63.42 123.68 12.5 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.288 1.992 . . . . 5.64 111.95 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -85.14 -52.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.509 2.139 . . . . 6.0 112.507 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 203' ' ' LEU . 2.6 pt? -172.16 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 5.41 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.607 HD13 ' H ' ' A' ' 204' ' ' GLU . 0.2 OUTLIER -151.74 145.54 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 5.02 110.779 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.607 ' H ' HD13 ' A' ' 203' ' ' LEU . 34.0 tt0 -77.91 84.71 4.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 3.98 110.773 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.62 24.14 4.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.53 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 142' ' ' VAL . 8.2 t -116.43 113.61 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 1.8 111.194 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 194' ' ' PRO . 32.7 m -113.19 149.08 34.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.27 111.036 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -106.18 114.77 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 2.43 111.063 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.5 HG21 ' HE2' ' A' ' 212' ' ' LYS . 3.5 mp -126.3 136.7 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 1.45 110.384 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 211' ' ' LEU . 2.4 t -136.32 168.44 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.319 . . . . 2.12 111.36 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 191' ' ' TRP . 11.0 mp 67.68 9.52 7.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.911 -0.586 . . . . 3.85 111.346 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 143' ' ' LEU . 24.0 ttmm -82.5 -43.5 17.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 5.85 110.532 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 77.38 4.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 5.91 110.37 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 159.5 27.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.888 2.392 . . . . 3.58 112.426 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 48.7 mm -124.9 137.62 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 4.42 110.868 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 25.4 t -100.93 114.4 28.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 3.53 111.296 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.49 141.22 18.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.164 -0.471 . . . . 2.45 110.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 152' ' ' ALA . 40.7 t -106.06 148.24 28.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.865 0.364 . . . . 3.39 110.992 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 222' ' ' VAL . 90.7 p -80.22 -18.4 49.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 2.82 111.243 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.69 -25.83 37.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 4.51 110.669 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -88.04 -24.8 23.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 3.92 111.297 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 30.1 m -102.14 24.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.381 . . . . 2.44 111.195 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.43 -37.17 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 2.8 110.722 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.91 -14.81 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 3.78 110.771 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . 0.595 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 87.5 t80 -80.05 -35.47 37.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 3.33 111.02 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 222' ' ' VAL . 36.0 mmt180 -73.92 -0.07 14.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 4.82 111.347 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 227' ' ' LYS . 9.6 mtpm? -72.76 -7.96 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.434 -0.348 . . . . 3.25 111.384 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 240' ' ' MET . 3.7 pp -54.12 162.23 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 2.93 111.363 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.13 166.87 21.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.039 -0.528 . . . . 2.92 111.402 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.429 ' H ' ' HD1' ' A' ' 230' ' ' PHE . 4.7 p90 -100.41 -0.95 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.964 -0.562 . . . . 5.3 110.953 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 232' ' ' GLY . 6.7 t30 -177.45 171.83 1.9 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.295 -0.411 . . . . 4.3 110.681 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . 0.493 ' N ' ' HB2' ' A' ' 169' ' ' LYS . . . -52.96 163.35 2.16 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.123 -0.56 . . . . 4.09 113.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.07 157.86 4.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.99 0.424 . . . . 7.57 111.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 104.31 -3.82 43.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.975 -0.631 . . . . 6.31 112.254 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -114.82 152.26 46.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.473 0.177 . . . . 5.7 110.613 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.06 134.03 50.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.435 2.09 . . . . 6.54 111.77 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 237' ' ' GLU . 0.3 OUTLIER -48.19 117.38 1.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 6.78 111.295 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -157.26 136.2 11.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 5.03 110.685 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.53 142.51 44.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 5.11 111.032 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 240' ' ' MET . 0.0 OUTLIER -53.87 130.95 38.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.549 . . . . 5.21 110.768 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 22.8 m -144.38 -175.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.479 -0.328 . . . . 3.44 111.46 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 99' ' ' SER . 46.3 m-20 68.44 41.7 1.73 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 3.67 110.97 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.485 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 30.9 m-20 -118.44 29.71 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.58 . . . . 3.74 110.702 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . 0.433 ' HD1' ' H ' ' A' ' 99' ' ' SER . 64.8 p-90 -103.5 159.79 15.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 3.25 110.895 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 18.5 tpt180 -141.03 141.63 24.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 3.78 110.92 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.426 ' HD2' ' HG3' ' A' ' 245' ' ' ARG . 46.6 Cg_exo -56.69 172.4 0.74 Allowed 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.263 1.975 . . . . 2.43 112.116 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.07 45.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 3.18 111.13 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -55.19 135.41 68.53 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 5.35 110.838 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.99 124.52 9.67 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.418 2.079 . . . . 4.02 112.558 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 64.9 tp -79.94 -31.89 40.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 3.94 110.856 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 66.07 13.44 9.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.695 -0.684 . . . . 6.83 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -147.7 171.45 15.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.327 -0.397 . . . . 5.02 111.214 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 66.78 140.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.789 -0.641 . . . . 5.82 111.491 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -106.36 166.05 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 3.22 110.619 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.8 mp -106.94 144.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.34 -0.391 . . . . 2.02 110.645 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -116.18 91.73 3.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 2.91 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.94 169.78 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 1.46 111.072 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.523 ' HB2' HD22 ' A' ' 44' ' ' LEU . 41.9 t -77.2 -15.43 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 2.32 110.483 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -111.69 147.67 35.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.817 -0.629 . . . . 3.3 110.599 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 40' ' ' TYR . 68.6 mttm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.252 -0.88 . . . . 4.59 111.255 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.424 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.5 mmm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.736 0.303 . . . . 32.91 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -95.67 -12.0 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 30.03 110.904 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -112.17 143.51 43.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 29.61 110.774 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -119.87 26.27 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 26.81 110.978 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -137.94 141.73 40.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 25.62 110.928 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.98 43.45 26.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.778 -0.725 . . . . 23.39 112.456 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -117.18 14.81 14.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 23.38 110.964 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.08 77.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 19.99 112.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -80.62 -45.95 16.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 19.34 110.765 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.35 -20.93 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 18.14 110.736 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -111.46 11.32 21.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 18.74 110.788 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.78 -166.25 38.72 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.818 -0.706 . . . . 16.42 112.63 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.71 147.67 63.69 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.709 2.273 . . . . 15.7 112.388 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.03 126.4 30.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 15.32 110.91 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -95.32 106.35 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 15.63 110.703 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -76.06 -20.92 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 11.72 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 24' ' ' LYS . 53.3 p-80 -85.25 -0.33 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 12.77 110.821 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -86.45 -11.32 52.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.535 . . . . 15.94 110.595 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -87.25 -52.8 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 12.96 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.5 147.11 64.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.038 -0.528 . . . . 10.55 110.853 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' A' ' 24' ' ' LYS . 72.8 Cg_endo -76.02 14.84 1.02 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.505 2.137 . . . . 9.69 112.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 204' ' ' GLU . 78.9 mt -81.41 -28.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 8.17 110.848 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 17' ' ' HIS . . . -87.84 -43.17 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 9.4 110.739 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' HIS . 14.7 ptmm? -84.03 5.35 26.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 13.28 110.847 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.37 161.5 53.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 8.88 112.533 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -135.15 37.73 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.781 0.324 . . . . 8.92 111.241 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 HH22 ' NZ ' ' A' ' 256' ' ' LYS . 87.8 mtt180 -135.44 25.33 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 9.6 110.466 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -106.84 27.92 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 6.33 110.966 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -134.68 148.91 69.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.383 -0.371 . . . . 3.57 111.115 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.84 125.28 5.98 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.651 2.234 . . . . 2.88 112.228 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.7 p -137.04 176.5 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.254 -0.43 . . . . 2.26 110.604 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.635 ' H ' HG22 ' A' ' 31' ' ' VAL . 35.4 m-20 -89.52 98.61 11.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 2.44 110.662 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -82.7 140.39 16.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.53 110.814 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 37' ' ' THR . 4.5 m-20 -108.73 129.42 55.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 1.51 110.662 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -67.3 -10.06 47.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.984 -0.553 . . . . 1.95 110.634 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -90.43 -40.85 11.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.771 -0.65 . . . . 3.43 110.969 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.566 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.9 t -74.06 -21.79 59.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.376 -0.374 . . . . 1.73 110.969 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.08 129.82 43.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 1.29 110.897 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.21 151.54 23.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 3.53 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.564 ' HB3' ' HB3' ' A' ' 260' ' ' LYS . 38.4 p90 -90.49 131.79 36.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 4.17 110.785 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.03 100.32 19.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 3.04 111.113 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.79 21.88 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.45 2.1 . . . . 2.3 112.749 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.8 m -68.49 -45.51 72.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.458 -0.337 . . . . 3.07 110.732 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.9 mm? -110.17 96.4 6.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 3.08 110.617 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -108.48 149.72 39.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 4.28 111.212 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.88 126.49 18.99 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.332 2.022 . . . . 2.41 111.665 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.9 tp -139.79 -62.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 5.24 111.576 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -129.9 120.31 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 2.67 111.37 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.72 135.82 18.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 2.44 110.778 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.513 ' HB2' HG12 ' A' ' 78' ' ' VAL . 51.1 m -113.41 144.11 43.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 2.58 110.952 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -175.04 34.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.991 -0.549 . . . . 4.87 110.919 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -89.76 -25.41 21.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 4.17 110.21 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -101.08 -3.91 28.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 4.62 110.679 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -50.53 120.22 4.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.345 -0.389 . . . . 1.97 110.741 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.0 m -159.85 144.05 14.67 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.44 -0.345 . . . . 1.9 111.538 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -87.14 163.6 16.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 1.87 110.412 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -123.23 -39.33 2.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.608 -0.269 . . . . 3.58 111.681 -179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 60' ' ' LEU . 40.9 ttp180 -173.37 152.2 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.871 0.367 . . . . 4.62 111.385 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.442 HG12 HG12 ' A' ' 68' ' ' VAL . 35.9 mt -112.72 104.43 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 1.72 110.631 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 58' ' ' ARG . 2.9 mm? -99.87 153.31 19.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 2.58 111.153 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.99 161.44 20.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 1.94 110.522 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -106.55 23.68 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.683 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.89 14.34 73.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.31 -0.948 . . . . 2.64 112.002 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.07 -55.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.711 0.291 . . . . 4.34 110.776 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.89 163.48 16.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.245 -0.434 . . . . 2.12 110.804 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -120.34 133.47 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 3.39 111.193 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -133.67 153.26 51.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.103 -0.499 . . . . 2.57 110.652 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 59' ' ' ILE . 3.6 m -115.58 108.65 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.95 111.442 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HB3' HE21 ' A' ' 92' ' ' GLN . 10.1 pt-20 -98.94 145.31 27.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 3.84 111.166 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -112.36 172.15 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 4.12 110.882 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.03 107.77 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 3.04 111.056 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -107.3 3.43 25.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 3.88 110.648 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 -44.28 83.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.039 -0.528 . . . . 3.2 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -127.42 -166.16 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 4.06 110.88 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -58.49 138.92 56.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 2.84 110.867 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 7.1 ttpm? -142.58 -76.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 3.26 111.13 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -156.54 122.39 4.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 1.42 111.332 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 50' ' ' SER . 11.5 p -117.42 152.05 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 1.72 110.855 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.0 tp -133.89 132.61 40.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.425 -0.352 . . . . 2.3 111.361 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HB3' HG22 ' A' ' 87' ' ' THR . 14.8 ptmm? -159.38 150.6 19.94 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.312 -0.404 . . . . 2.67 110.559 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.63 156.35 26.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.582 -0.818 . . . . 2.5 112.754 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.9 -158.28 6.53 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.748 -0.739 . . . . 2.63 112.628 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.12 2.1 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.481 2.12 . . . . 4.13 112.16 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.13 112.82 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 3.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.42 -15.37 37.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 5.04 110.778 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.91 83.67 1.52 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.902 -0.666 . . . . 1.92 112.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 80' ' ' LYS . 40.1 p -68.25 156.07 38.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.68 111.404 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.98 128.62 46.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 3.43 110.722 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -103.32 153.88 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 3.79 111.157 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.8 mp -90.0 122.72 33.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.289 -0.414 . . . . 2.52 110.342 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -98.86 -70.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.549 -0.296 . . . . 2.47 111.411 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 69' ' ' GLU . 3.9 pt20 -159.17 169.67 23.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.599 -0.273 . . . . 2.41 111.012 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 37.7 p90 -158.14 162.3 37.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 1.57 111.268 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.544 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.9 p-80 -135.86 163.82 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 1.29 110.48 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -111.41 145.6 38.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.866 0.365 . . . . 3.19 111.574 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -104.07 160.73 14.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.051 -0.522 . . . . 1.68 110.204 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.427 ' C ' ' HB2' ' A' ' 243' ' ' ASN . 97.2 m95 -144.15 89.9 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 5.75 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.595 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -52.47 164.08 1.7 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 121.026 -0.607 . . . . 3.04 112.677 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.485 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 44.0 t -82.83 -28.73 29.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 4.29 110.836 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.1 137.97 31.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 5.2 110.919 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.45 20.54 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 5.33 110.668 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.01 -40.4 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.824 -0.703 . . . . 4.18 112.369 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -166.43 172.05 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 4.67 111.11 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.55 77.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 1.95 112.451 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.6 p -152.18 147.81 26.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 2.04 110.989 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.4 124.88 24.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 2.64 110.732 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 60.92 173.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 2.11 110.885 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.1 t -164.68 120.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 1.88 111.315 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 34.5 m -102.92 159.3 4.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.295 -0.411 . . . . 2.24 111.68 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 t70 56.15 30.72 16.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.74 -0.664 . . . . 2.18 111.016 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 55.61 24.85 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 3.37 111.401 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -126.19 116.93 22.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 3.86 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -102.99 152.35 21.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 2.57 110.962 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.14 164.79 11.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.18 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.0 -14.26 58.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.089 -0.505 . . . . 1.72 111.536 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.408 ' HB3' HD21 ' A' ' 147' ' ' LEU . . . -163.81 169.47 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.919 0.39 . . . . 1.55 111.309 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 145' ' ' ILE . 39.4 tt0 -152.69 147.8 26.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 2.4 110.79 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 148.12 23.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 2.07 110.93 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.544 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.8 m170 -107.2 108.92 20.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.057 -0.52 . . . . 1.71 111.285 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.581 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 3.0 mp -102.4 143.64 31.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.734 0.302 . . . . 2.51 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.0 140.71 34.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 1.83 111.496 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 15.2 m-70 -127.31 156.83 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 2.43 110.261 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.51 ' HE1' ' HB2' ' A' ' 133' ' ' ALA . 27.8 t90 -165.03 134.76 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.084 0.469 . . . . 3.95 111.153 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.401 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 60.4 t30 -78.68 128.18 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 2.19 110.76 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.1 t -73.44 -15.02 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.77 111.804 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 54.1 tptt -54.91 -25.44 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 3.65 111.201 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' A' ' 129' ' ' ASP . 95.2 m-85 -85.95 -30.03 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 4.38 111.194 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.13 -24.6 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 2.22 112.75 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.2 m-20 -142.33 163.58 32.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.882 0.372 . . . . 3.07 111.221 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -80.08 -23.23 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 3.08 110.998 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.05 -27.61 72.78 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.602 -0.809 . . . . 2.36 112.367 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -90.06 -32.7 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 3.63 110.738 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HE1' ' A' ' 123' ' ' TRP . . . -62.74 -42.57 99.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.73 111.148 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.71 -13.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.923 -0.58 . . . . 2.3 111.629 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.579 ' HA ' HE21 ' A' ' 135' ' ' GLN . 0.1 OUTLIER -72.26 -10.37 59.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 3.84 110.734 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.645 ' HG2' ' H ' ' A' ' 138' ' ' ASP . 33.3 tt0 -135.3 130.97 19.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 3.22 110.669 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 37.4 Cg_exo -61.2 -24.09 78.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.603 2.202 . . . . 2.44 112.189 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.645 ' H ' ' HG2' ' A' ' 136' ' ' GLN . 6.2 m-20 -100.34 10.77 40.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 2.64 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -57.77 -55.33 31.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 1.49 112.858 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.7 OUTLIER -126.96 155.76 42.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.694 0.283 . . . . 1.76 110.634 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.2 165.26 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 0.98 111.281 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 209' ' ' ILE . 60.0 t -125.16 108.26 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 1.3 110.753 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.545 HD23 HD22 ' A' ' 120' ' ' LEU . 61.6 tp -85.47 141.61 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 2.1 111.322 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.87 128.57 5.71 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.815 -0.629 . . . . 1.4 112.25 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 51.3 mt -130.55 140.67 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.3 . . . . 1.53 111.044 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -88.74 175.98 7.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 4.48 110.753 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 116' ' ' ALA . 96.0 mt -56.69 176.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.94 0.4 . . . . 3.25 111.104 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -128.07 143.39 51.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 4.32 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.03 122.56 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 3.13 110.782 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 218' ' ' SER . . . -53.97 107.22 0.6 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.041 -0.6 . . . . 3.15 113.008 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.1 p -172.22 42.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.767 0.318 . . . . 3.85 111.21 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 217' ' ' VAL . . . -84.86 -164.87 1.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.409 -0.36 . . . . 3.82 111.073 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -64.69 155.97 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 5.19 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -78.24 -2.63 12.69 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.45 2.1 . . . . 3.09 111.867 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -122.73 29.05 5.52 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.878 -0.677 . . . . 2.71 112.615 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 221' ' ' GLN . 19.1 tp -72.67 6.96 2.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 3.94 110.946 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -53.69 -22.72 9.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 3.55 110.959 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 162' ' ' VAL . 45.5 mtmt -54.24 -36.33 63.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.515 . . . . 4.82 111.022 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 36.6 t -84.5 -28.56 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 3.12 111.333 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.38 -28.63 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.049 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -85.07 -27.86 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 3.01 110.876 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 158' ' ' LYS . 96.1 t -60.5 -43.83 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.221 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.42 -30.43 71.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 2.31 111.09 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.53 -12.48 22.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 2.42 110.642 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 40.9 t -86.4 -30.89 21.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 1.85 110.991 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.9 mp -108.67 51.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 2.44 110.735 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -50.95 -41.96 59.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 3.75 110.625 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 44.7 p -128.15 148.88 50.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 2.36 111.081 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.7 OUTLIER -65.73 148.14 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 3.46 111.14 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.6 -20.89 19.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.961 -0.637 . . . . 2.2 112.435 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -93.71 175.73 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 3.33 110.807 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 79.7 p -126.59 163.07 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 2.27 111.031 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -163.0 124.55 2.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 1.89 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.508 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 7.9 m-20 -69.07 143.03 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 3.74 111.089 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.41 ' HB3' HG13 ' A' ' 59' ' ' ILE . 70.2 t80 -156.05 108.42 2.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 4.47 110.645 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 12.9 t -130.66 -177.37 4.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 4.59 110.95 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.03 50.32 6.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 6.35 111.09 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -112.58 142.15 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 4.67 110.688 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -143.15 91.75 6.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 3.92 111.292 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.76 -48.45 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.279 1.986 . . . . 4.59 112.31 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -92.02 -7.32 49.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 8.64 111.093 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.55 29.93 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.786 -0.721 . . . . 3.43 112.577 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.59 -20.27 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.658 0.266 . . . . 5.71 111.004 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 90.8 mt -73.8 137.36 76.76 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.47 -0.332 . . . . 4.53 110.809 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 25.3 Cg_exo -62.58 132.78 39.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.46 2.107 . . . . 3.71 112.406 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.98 -20.32 42.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.465 . . . . 6.38 111.135 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.0 m -107.09 89.83 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 5.07 111.026 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.453 HD22 ' HZ2' ' A' ' 212' ' ' LYS . 11.3 mt -154.07 169.37 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 4.32 111.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.606 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 12.3 m-20 -76.11 167.34 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 3.78 110.594 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -142.1 175.61 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 3.36 110.886 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.555 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.2 m-90 -140.71 140.57 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.02 -0.536 . . . . 4.16 110.07 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.5 t -138.26 163.82 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.5 111.559 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -159.88 87.13 1.99 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 2.91 110.635 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.517 ' HA ' HG23 ' A' ' 207' ' ' THR . 53.5 Cg_exo -53.67 129.55 34.49 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.485 2.123 . . . . 1.48 112.422 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 162.84 -157.0 28.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.861 -0.685 . . . . 1.64 112.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 64.3 m -127.37 174.26 9.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 2.75 110.84 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.69 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 5.98 110.739 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 70.0 p -82.67 18.22 1.6 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.258 0.551 . . . . 5.3 110.191 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 1.3 t -153.27 142.14 14.42 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-N 115.395 -0.82 . . . . 4.96 110.379 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 201' ' ' PRO . 58.1 Cg_endo -72.14 122.99 8.88 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 121.882 1.721 . . . . 5.64 112.439 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 77.3 Cg_endo -97.81 -6.9 0.86 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.146 2.564 . . . . 6.0 112.425 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 202' ' ' LEU . 3.6 mm? 62.1 19.52 10.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.904 -0.589 . . . . 5.41 110.348 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 63.2 mt -136.41 123.69 21.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 5.02 110.73 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.403 ' HB2' HD11 ' A' ' 22' ' ' ILE . 7.5 tp10 -90.21 17.67 6.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.373 0.606 . . . . 3.98 109.837 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 79.3 m -93.08 19.45 7.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.378 -0.828 . . . . 2.48 110.74 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.2 m -132.39 115.31 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 1.8 111.512 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 194' ' ' PRO . 35.3 m -112.97 140.81 47.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 1.27 110.268 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -91.23 108.69 20.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.84 0.352 . . . . 2.43 110.979 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 142' ' ' VAL . 0.3 OUTLIER -101.62 160.62 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 1.45 110.539 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 43.8 t -133.41 103.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.12 110.857 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.13 162.09 4.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 3.85 110.594 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.453 ' HZ2' HD22 ' A' ' 188' ' ' LEU . 22.6 tptm -62.41 -55.15 30.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 5.85 110.995 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.16 149.99 26.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 5.91 110.87 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.73 170.17 20.94 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.632 2.221 . . . . 3.58 112.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 215' ' ' ILE . 4.5 mp -73.52 134.85 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.247 -0.433 . . . . 4.42 110.665 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 78.7 p -68.29 104.07 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 3.53 111.421 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.515 ' HA ' ' HB2' ' A' ' 152' ' ' ALA . 57.9 t -133.24 136.69 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 2.45 110.59 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.491 ' HB2' ' HG2' ' A' ' 221' ' ' GLN . 74.0 m -73.06 147.84 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.947 0.403 . . . . 3.39 110.926 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.3 p -80.98 -22.49 39.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 2.82 111.583 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.94 -26.66 57.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 4.51 111.029 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.535 ' HG3' HD23 ' A' ' 156' ' ' LEU . 24.5 mm-40 -75.93 -26.47 56.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 3.92 110.834 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 27.1 m -96.59 -3.29 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 2.44 111.224 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 223' ' ' LEU . 0.4 OUTLIER -56.23 -40.59 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.3 -0.409 . . . . 2.8 110.09 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -76.03 -23.48 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.966 -0.561 . . . . 3.78 110.376 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -69.05 -23.27 64.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.902 -0.59 . . . . 3.33 110.8 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -77.02 -10.87 59.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 4.82 111.162 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -74.53 -5.66 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 3.25 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.39 162.44 12.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 2.93 110.989 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -110.89 147.0 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 2.92 110.787 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -52.05 -40.61 61.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 5.3 110.292 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -124.6 140.32 53.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.991 -0.55 . . . . 4.3 110.854 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -88.23 -160.06 35.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.825 -0.702 . . . . 4.09 112.273 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -50.61 150.86 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 7.57 111.269 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 87.76 1.72 82.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.971 -0.633 . . . . 6.31 112.524 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -138.38 157.36 72.6 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.449 0.166 . . . . 5.7 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.47 158.82 50.84 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.426 2.084 . . . . 6.54 112.261 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.65 124.77 19.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 6.78 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -143.57 156.24 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 5.03 111.157 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.69 130.87 51.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 5.11 110.463 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 52.7 ttp -67.96 80.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 5.21 110.714 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 29.8 m -141.73 -171.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.901 -0.59 . . . . 3.44 111.185 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.429 ' H ' ' HB2' ' A' ' 99' ' ' SER . 13.5 t70 73.29 48.19 0.17 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.031 -0.532 . . . . 3.67 110.957 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.595 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 37.6 m-80 -129.81 37.13 3.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.862 -0.608 . . . . 3.74 110.923 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -105.47 155.46 19.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 3.25 110.84 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 35.7 mmt180 -139.27 131.55 15.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 3.78 111.368 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 15.5 Cg_exo -68.33 173.09 10.15 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.557 2.171 . . . . 2.43 111.877 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -166.76 41.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.376 . . . . 3.18 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.21 145.2 57.64 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.465 . . . . 5.35 110.87 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -83.24 123.62 3.53 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.448 2.098 . . . . 4.02 112.348 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.03 -49.1 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 3.94 110.846 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -173.13 -67.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 6.83 110.858 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -151.5 170.32 19.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 5.02 110.844 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -169.85 138.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 5.82 111.175 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -104.03 119.5 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 3.22 110.54 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 255' ' ' ILE . 4.1 mp -109.11 123.84 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.395 -0.366 . . . . 2.02 111.189 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.431 ' NZ ' HH22 ' A' ' 27' ' ' ARG . 61.7 mttp -97.97 100.8 12.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 2.91 110.737 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -113.29 168.62 9.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.425 . . . . 1.46 111.311 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 30.1 t -69.48 -37.16 77.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 2.32 110.432 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 87.5 t80 -112.01 144.45 41.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 3.3 110.902 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' TYR . 15.3 ptpt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.143 -0.932 . . . . 4.59 111.344 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 0.403 ' O3 ' ' N2 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.87 0.367 . . . . 32.91 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -153.23 -44.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.208 -0.451 . . . . 30.03 111.176 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -122.99 -32.68 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 29.61 111.072 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -137.72 119.43 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 26.81 110.895 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.9 p90 -145.91 170.46 16.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 25.62 110.918 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.7 7.92 52.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.829 -0.7 . . . . 23.39 112.811 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 57.12 -173.17 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.858 0.361 . . . . 23.38 111.053 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.69 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.655 -0.783 . . . . 19.99 112.637 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 6.6 ttpm? -79.65 -34.76 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 19.34 110.703 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -88.73 -24.59 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 18.14 110.651 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -95.32 -11.67 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 18.74 110.722 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.7 -175.36 41.04 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.758 -0.734 . . . . 16.42 112.531 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.0 117.13 4.27 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.662 2.241 . . . . 15.7 112.533 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -116.39 179.53 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 15.32 110.585 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 m80 57.01 89.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.231 -0.44 . . . . 15.63 111.254 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -71.16 -15.28 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 11.72 111.127 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -86.37 -30.42 22.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.408 -0.36 . . . . 12.77 111.114 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -80.98 -20.26 42.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 15.94 110.639 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.31 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 12.96 110.941 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.38 135.24 21.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 10.55 111.113 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -78.67 19.36 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.366 2.044 . . . . 9.69 112.116 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 201' ' ' PRO . 59.4 mt -73.03 -36.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.007 -0.542 . . . . 8.17 110.823 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.41 -37.21 18.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 9.4 110.563 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.58 -10.28 59.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 13.28 110.567 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.03 99.71 0.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.846 -0.692 . . . . 8.88 112.401 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.82 83.85 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.818 0.342 . . . . 8.92 110.991 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -120.57 13.06 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 9.6 111.172 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.48 -37.41 25.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 6.33 110.65 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -84.79 150.41 55.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 3.57 110.555 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HB2' ' O ' ' A' ' 246' ' ' PRO . 43.1 Cg_exo -56.51 129.31 34.02 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.461 2.107 . . . . 2.88 112.154 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 32' ' ' ASP . 20.2 t -120.44 165.65 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.157 -0.474 . . . . 2.26 110.631 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' HG12 ' A' ' 31' ' ' VAL . 18.8 t70 -86.6 98.64 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 2.44 110.856 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.602 ' HB ' HG12 ' A' ' 109' ' ' VAL . 2.5 mp -83.17 142.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.53 110.88 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB2' HG22 ' A' ' 37' ' ' THR . 11.8 m-20 -113.11 129.45 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 1.51 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.4 p -69.47 -8.91 51.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 1.95 111.236 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -89.96 -40.86 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 3.43 110.997 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.5 t -74.12 -17.08 60.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.303 -0.408 . . . . 1.73 110.978 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 157.53 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.886 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -133.12 147.93 52.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.864 0.364 . . . . 3.53 111.157 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 84.2 t80 -74.54 98.87 3.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.536 . . . . 4.17 110.644 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 102.76 49.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 3.04 111.023 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.84 20.69 0.86 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.383 2.055 . . . . 2.3 112.394 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 44' ' ' LEU . 92.2 p -59.48 -45.88 90.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.398 -0.365 . . . . 3.07 110.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' C ' ' A' ' 43' ' ' SER . 4.6 mm? -119.18 99.11 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 3.08 110.541 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -108.15 147.51 35.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 4.28 110.47 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.16 125.65 19.6 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.182 1.922 . . . . 2.41 111.563 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.0 tp -117.25 -57.68 2.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.501 -0.318 . . . . 5.24 110.982 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.9 p -135.31 142.03 45.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.432 -0.349 . . . . 2.67 111.221 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -151.87 114.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.037 -0.529 . . . . 2.44 111.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -109.26 146.57 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.32 -0.4 . . . . 2.58 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -176.3 34.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.557 . . . . 4.87 110.781 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -91.97 -21.92 20.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 4.17 110.861 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -108.59 -0.52 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 4.62 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.83 120.71 6.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 1.97 110.966 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -146.25 143.37 29.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.962 0.41 . . . . 1.9 111.717 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.1 p -99.75 165.05 11.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.956 -0.565 . . . . 1.87 110.572 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 71' ' ' ASP . 4.2 mm? -111.29 -39.42 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 3.58 111.649 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -178.06 167.81 2.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 4.62 111.43 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.6 tt -124.83 123.61 66.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.624 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -113.22 150.56 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 2.58 111.178 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.558 ' ND2' HG21 ' A' ' 166' ' ' ILE . 19.8 m-80 -116.92 148.84 41.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.015 -0.538 . . . . 1.94 110.495 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -106.84 23.27 14.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.362 -0.381 . . . . 3.13 111.501 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.95 14.4 62.83 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.313 -0.946 . . . . 2.64 112.45 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 56.1 t60 -176.05 -61.78 0.01 OUTLIER 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.747 0.308 . . . . 4.34 110.893 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.6 149.48 21.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 2.12 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -123.68 135.14 53.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 3.39 111.142 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -130.24 148.43 52.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 2.57 110.717 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -96.48 145.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.95 110.785 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.626 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 43.1 tt0 -120.34 117.42 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 3.84 111.064 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -96.89 171.21 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 4.12 110.571 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' HD21 ' A' ' 57' ' ' LEU . 22.6 t70 -72.88 122.2 21.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 3.04 110.636 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.94 -11.78 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 3.88 110.711 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.5 t -64.26 -24.15 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 3.2 111.058 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -152.6 154.09 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 4.06 110.769 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.95 121.98 31.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.252 -0.431 . . . . 2.84 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 4.1 mptp? -94.79 -76.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 3.26 111.087 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.74 135.27 36.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 1.42 111.213 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.14 156.0 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 1.72 110.748 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.93 155.73 46.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.413 -0.358 . . . . 2.3 110.863 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -159.37 140.46 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.819 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.44 176.96 50.14 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.803 -0.713 . . . . 2.5 112.385 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.12 -77.39 0.18 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.543 -0.837 . . . . 2.63 112.417 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.28 -7.31 17.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.458 2.106 . . . . 4.13 112.11 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HB2' HD11 ' A' ' 44' ' ' LEU . 28.7 tp -83.45 115.59 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 3.0 110.754 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -102.16 49.78 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.057 0.456 . . . . 5.04 110.731 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.7 85.71 0.23 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.906 -0.664 . . . . 1.92 112.422 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -55.68 152.66 9.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.653 0.263 . . . . 1.68 111.223 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' HD1' ' A' ' 122' ' ' HIS . 81.8 m-85 -125.12 131.38 53.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 3.43 111.33 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -103.77 129.84 51.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 3.79 110.792 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 pt? -84.15 142.32 30.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.649 0.261 . . . . 2.52 110.361 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.651 HG22 ' HG3' ' A' ' 92' ' ' GLN . 4.1 mp -111.84 -71.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 111.896 0.332 . . . . 2.47 111.896 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 91' ' ' ILE . 52.2 mt-30 -149.16 166.7 28.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.573 0.225 . . . . 2.41 111.054 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -158.3 154.74 27.62 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.237 0.541 . . . . 1.57 111.81 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 4.5 p-80 -129.78 169.87 14.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.36 -0.836 . . . . 1.29 110.098 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -109.91 138.06 46.82 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.032 0.444 . . . . 3.19 112.063 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -95.2 164.05 13.02 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.798 -0.637 . . . . 1.68 109.631 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -142.8 145.17 32.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 5.75 111.248 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -118.4 161.88 13.43 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.23 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 t -68.9 -30.83 69.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 4.29 110.817 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.77 141.41 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 5.2 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.49 5.33 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 5.33 111.089 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.68 -15.65 4.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.471 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 113' ' ' LYS . 21.8 pt20 -164.58 164.9 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 4.67 111.112 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.33 85.2 0.55 Allowed Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.899 -0.667 . . . . 1.95 112.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 35.0 t -155.18 -79.55 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.67 0.271 . . . . 2.04 111.053 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.666 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 47.6 mt-10 -148.26 -99.9 0.08 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.425 -0.352 . . . . 2.64 111.85 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -67.97 176.33 2.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.94 0.4 . . . . 2.11 111.579 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 113' ' ' LYS . 95.9 m -141.79 86.06 1.97 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.941 -0.572 . . . . 1.88 110.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.602 HG12 ' HB ' ' A' ' 33' ' ' ILE . 19.8 m -89.32 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 2.24 111.165 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.87 35.39 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 2.18 110.592 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.9 mttp 58.82 14.64 3.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.015 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -124.3 116.46 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 3.86 110.623 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.534 ' N ' HG23 ' A' ' 108' ' ' THR . 40.1 ttmt -71.67 144.65 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 2.57 111.303 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 105' ' ' SER . 69.6 m-85 -70.0 137.7 51.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 2.18 109.987 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.96 -25.2 37.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 1.72 111.287 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.5 145.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 1.55 110.603 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -143.96 155.22 43.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 2.4 111.085 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 5.4 mt -99.61 140.52 33.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 2.07 110.943 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.99 94.97 8.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 1.71 109.891 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 90' ' ' LEU . 41.2 tp -107.41 103.38 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 2.51 110.714 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.09 115.35 32.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.072 -0.513 . . . . 1.83 111.019 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.572 ' HD1' ' HB3' ' A' ' 88' ' ' TYR . 7.7 p80 -131.6 143.56 50.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.983 -0.553 . . . . 2.43 110.264 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -147.57 171.7 15.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.398 . . . . 3.95 111.275 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.45 HD22 ' HE2' ' A' ' 126' ' ' LYS . 2.3 m-20 -54.33 112.9 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 2.19 110.814 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -78.92 -15.02 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.77 111.631 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HE2' HD22 ' A' ' 124' ' ' ASN . 56.7 pttt -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 3.65 111.036 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.428 ' HB3' ' HB2' ' A' ' 132' ' ' LYS . 56.0 m-85 -81.9 -29.13 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 4.38 110.849 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.95 56.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 2.22 112.347 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -143.93 143.8 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 3.07 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 134' ' ' VAL . 52.0 p90 -75.02 -28.8 60.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 3.08 110.663 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.31 -22.28 70.95 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.711 -0.757 . . . . 2.36 112.052 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 127' ' ' TYR . 46.6 mmtm -90.5 -38.57 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.843 0.354 . . . . 3.63 110.72 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.69 69.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 1.73 111.83 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 130' ' ' PHE . 16.2 m -70.63 2.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.465 -0.334 . . . . 2.3 111.824 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -72.22 -13.77 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 3.84 110.621 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.44 155.68 46.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.008 -0.542 . . . . 3.22 110.505 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.04 -16.39 32.57 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.53 2.153 . . . . 2.44 112.135 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -115.26 -12.68 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 2.64 110.838 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 52.17 -95.27 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.04 -0.6 . . . . 1.49 112.52 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.43 163.38 17.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.656 0.265 . . . . 1.76 110.355 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 209' ' ' ILE . . . -122.74 164.91 17.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.923 0.392 . . . . 0.98 111.529 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.62 145.06 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 1.3 110.499 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 74.0 mt -104.44 144.12 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 2.1 111.061 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -98.98 116.49 5.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 1.4 112.367 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.463 HD13 HD12 ' A' ' 211' ' ' LEU . 32.5 mm -124.2 144.42 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.398 0.142 . . . . 1.53 111.093 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.4 t80 79.84 -61.25 0.3 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.735 0.647 . . . . 4.48 110.65 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.8 mt 55.93 -88.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 3.25 111.994 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -114.39 158.45 21.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.692 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.9 153.65 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 3.13 111.089 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.58 141.64 4.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 3.15 112.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.6 m 58.51 75.69 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 3.85 110.715 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 217' ' ' VAL . . . -61.03 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.058 -0.519 . . . . 3.82 111.684 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 19.4 pttm -56.38 136.06 76.08 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 5.19 111.362 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 7.9 Cg_exo -73.1 11.15 0.97 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.688 2.259 . . . . 3.09 111.94 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.16 64.18 0.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.067 -0.587 . . . . 2.71 112.11 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 159' ' ' VAL . 80.9 mt -129.36 26.68 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.83 0.348 . . . . 3.94 110.923 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -54.67 -21.42 10.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 3.55 111.368 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -58.07 -33.1 68.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 4.82 111.112 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 156' ' ' LEU . 5.9 p -65.88 -25.59 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.369 -0.378 . . . . 3.12 110.866 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 65.0 t -70.75 -26.35 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 3.14 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.97 -54.75 37.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 3.01 110.467 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.91 -27.07 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 2.46 110.807 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -32.34 71.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 2.31 110.939 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.65 -12.55 4.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 2.42 110.784 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -69.92 -7.05 37.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.125 -0.489 . . . . 1.85 111.04 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.558 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -125.05 51.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 2.44 110.551 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.444 ' HD2' HD13 ' A' ' 228' ' ' LEU . 58.8 tptt -50.52 -42.29 54.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.973 -0.558 . . . . 3.75 110.648 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.662 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 73.0 p -105.27 144.88 31.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 2.36 110.74 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -79.68 143.45 34.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.961 0.41 . . . . 3.46 111.026 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -10.02 26.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.958 -0.639 . . . . 2.2 112.694 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -95.51 175.83 6.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.785 0.326 . . . . 3.33 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 83.9 p -122.88 165.94 15.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.514 . . . . 2.27 110.993 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -167.21 148.87 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 1.89 110.885 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.61 148.42 25.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 3.74 111.079 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -156.25 105.43 2.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 4.47 110.955 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 11.7 t -123.75 -179.96 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 4.59 110.863 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.3 m120 61.2 56.83 2.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.183 -0.462 . . . . 6.35 110.983 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.95 146.56 54.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.192 -0.458 . . . . 4.67 110.626 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.76 113.15 54.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 3.92 110.971 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.12 -9.93 17.85 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.41 2.073 . . . . 4.59 112.7 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -74.46 -14.47 60.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.383 -0.371 . . . . 8.64 110.756 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -83.95 -3.78 88.98 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.651 -0.785 . . . . 3.43 112.343 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 79.6 mt -114.59 11.92 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.587 0.232 . . . . 5.71 111.027 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.7 137.97 77.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 4.53 111.006 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.57 129.95 8.62 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.514 2.143 . . . . 3.71 112.269 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -79.54 -32.5 42.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 6.38 110.981 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 36.2 t -157.15 162.88 39.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.381 -0.372 . . . . 5.07 111.057 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.6 mt -91.38 46.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 4.32 111.001 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 259' ' ' PHE . 13.2 m-20 -147.72 160.88 42.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 3.78 110.751 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.6 175.98 5.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.407 -0.361 . . . . 3.36 110.617 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.596 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.4 m-90 -118.27 164.77 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 4.16 110.481 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 257' ' ' ALA . 11.8 t -138.48 169.22 18.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.85 0.357 . . . . 1.5 111.335 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -154.45 87.72 3.46 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 2.91 110.683 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.636 ' HA ' HG23 ' A' ' 207' ' ' THR . 38.1 Cg_endo -65.4 127.96 19.29 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.494 2.129 . . . . 1.48 112.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -163.45 -138.48 2.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.825 -0.702 . . . . 1.64 112.257 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.462 ' HB3' ' HA ' ' A' ' 204' ' ' GLU . 83.4 p -157.29 -175.67 5.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.546 0.213 . . . . 2.75 110.557 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.48 170.04 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.394 . . . . 5.98 111.215 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 5.1 m -85.95 5.6 32.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.969 -0.56 . . . . 5.3 110.449 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.551 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 17.4 p -95.74 164.36 19.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 4.96 110.551 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 78.1 Cg_exo -39.78 150.98 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.636 2.224 . . . . 5.64 112.44 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.452 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 53.1 Cg_exo -52.79 94.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.42 2.08 . . . . 6.0 112.667 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 200' ' ' PRO . 94.1 mt -111.1 -44.61 3.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.987 -0.551 . . . . 5.41 110.763 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 203' ' ' LEU . 0.6 OUTLIER -163.58 144.43 8.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.216 0.531 . . . . 5.02 111.423 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 196' ' ' SER . 30.0 tt0 -101.85 23.61 11.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.524 0.678 . . . . 3.98 109.246 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 87.1 m -86.32 30.33 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.006 -0.997 . . . . 2.48 111.138 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.74 110.52 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 1.8 111.098 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 194' ' ' PRO . 47.3 m -113.12 143.57 44.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 1.27 111.327 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -111.65 115.28 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 2.43 110.557 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.708 HD13 ' HB1' ' A' ' 141' ' ' ALA . 2.6 mp -101.99 142.32 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 1.45 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 191' ' ' TRP . 11.1 m -125.95 132.47 70.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 2.12 111.221 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 145' ' ' ILE . 91.5 mt -68.99 165.4 20.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 3.85 111.335 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -74.28 -55.0 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 5.85 111.34 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.17 75.33 11.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.488 -0.324 . . . . 5.91 110.875 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.17 173.59 14.26 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.578 2.185 . . . . 3.58 112.362 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 7.1 tp -66.39 133.72 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 4.42 111.093 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 80.3 p -137.1 172.92 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 3.53 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 152' ' ' ALA . 46.7 t -127.31 137.85 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 2.45 111.042 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 43.2 t -71.42 148.07 47.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.17 -0.468 . . . . 3.39 111.057 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.8 m -68.73 -15.36 63.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 2.82 111.064 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.21 -40.54 90.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.918 0.39 . . . . 4.51 110.508 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -76.98 -17.47 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 3.92 110.715 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 51.6 t -79.58 -22.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 2.44 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.08 -33.21 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 2.8 110.748 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.25 -30.93 25.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.932 -0.577 . . . . 3.78 111.161 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -70.03 -15.75 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 3.33 110.814 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -67.08 -15.11 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 4.82 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -69.13 -28.52 66.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 3.25 110.799 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 167' ' ' LYS . 3.9 mm? -63.64 158.02 22.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 2.93 110.74 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -88.13 144.41 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 2.92 110.82 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 46.8 p90 -95.8 3.42 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 5.3 111.163 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -175.07 68.08 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 4.3 111.119 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . 0.662 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . 61.69 173.04 1.33 Allowed Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.908 -0.663 . . . . 4.09 112.856 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -72.38 157.05 38.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 7.57 110.983 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 97.29 11.41 52.1 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.781 -0.723 . . . . 6.31 112.253 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 236' ' ' PRO . 17.1 mm-40 -127.4 137.53 30.88 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.4 0.143 . . . . 5.7 110.904 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 235' ' ' GLU . 35.0 Cg_exo -60.23 130.26 33.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.467 2.112 . . . . 6.54 111.964 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -49.37 119.99 3.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.218 -0.446 . . . . 6.78 110.982 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -152.8 149.6 28.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 5.03 110.764 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.98 146.92 45.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 5.11 110.902 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.428 ' HE3' ' HB2' ' A' ' 240' ' ' MET . 58.2 mtm -82.11 41.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 5.21 111.385 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 3.6 p -72.06 132.98 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 3.44 110.967 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.2 t70 179.51 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 3.67 110.63 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -88.71 38.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 3.74 111.547 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . 0.453 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 63.3 p-90 -97.26 149.52 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 3.25 110.389 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.666 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 31.5 mtp180 -140.74 146.05 42.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.543 -0.299 . . . . 3.78 111.201 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 30' ' ' PRO . 95.0 Cg_endo -85.37 171.79 8.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.711 2.274 . . . . 2.43 111.751 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 30' ' ' PRO . . . -166.91 45.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.332 . . . . 3.18 111.121 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -55.7 140.43 67.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 5.35 110.94 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.65 126.06 7.93 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.373 2.049 . . . . 4.02 112.455 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 60.8 tp -77.56 -48.74 16.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 3.94 110.593 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -165.73 -64.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 6.83 110.835 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -173.98 163.36 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.02 111.16 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -175.42 149.06 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 5.82 110.499 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -102.3 125.25 48.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.036 0.446 . . . . 3.22 110.986 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 33' ' ' ILE . 1.1 pp -116.42 145.84 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 2.02 111.397 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -91.66 156.91 17.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.519 . . . . 2.91 110.668 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.621 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -163.87 147.66 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.46 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.3 t -63.46 -22.21 66.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.095 0.474 . . . . 2.32 110.092 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 85.1 t80 -112.01 161.45 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.56 -0.746 . . . . 3.3 110.293 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 67.1 mttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.134 -0.936 . . . . 4.59 111.251 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.394 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.716 0.293 . . . . 32.91 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -131.93 146.94 52.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 30.03 110.999 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -130.89 -0.5 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 29.61 110.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -141.21 100.12 3.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.029 -0.532 . . . . 26.81 110.782 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -129.62 143.91 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 25.62 110.693 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.88 -15.2 10.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.808 -0.711 . . . . 23.39 112.277 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -131.48 -179.77 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 23.38 110.688 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.1 74.63 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.588 -0.815 . . . . 19.99 112.73 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.03 -35.51 42.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.797 0.332 . . . . 19.34 110.65 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -74.92 -11.6 60.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 18.14 110.684 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.21 -13.5 28.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 18.74 110.624 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.68 166.67 13.82 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.814 -0.708 . . . . 16.42 112.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.97 150.59 38.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.536 2.157 . . . . 15.7 112.215 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.88 -174.92 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 15.32 110.896 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.9 m80 57.77 90.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.057 -0.52 . . . . 15.63 111.037 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -66.84 -18.8 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 11.72 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -70.25 -38.26 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 12.77 111.015 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -86.17 19.83 2.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 15.94 111.524 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.17 -61.82 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 12.96 111.198 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -132.25 151.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 10.55 110.688 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.72 33.44 0.48 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.528 2.152 . . . . 9.69 112.732 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mm -81.53 -51.0 15.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.987 0.422 . . . . 8.17 110.572 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.75 -28.8 22.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 9.4 110.656 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -86.06 -17.76 34.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.991 -0.549 . . . . 13.28 110.995 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.43 89.81 0.21 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.665 -0.779 . . . . 8.88 112.749 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -144.96 -47.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.554 0.216 . . . . 8.92 111.238 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.701 ' HD3' ' H ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -92.48 3.12 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.949 0.404 . . . . 9.6 110.471 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -97.65 68.27 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.857 -0.61 . . . . 6.33 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -140.04 69.41 35.27 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.08 -0.509 . . . . 3.57 110.881 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.84 126.99 9.8 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.716 2.277 . . . . 2.88 112.193 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 32' ' ' ASP . 35.0 t -127.53 158.89 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.26 -0.427 . . . . 2.26 110.571 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' HA ' HG23 ' A' ' 108' ' ' THR . 7.1 m-20 -92.03 98.78 11.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.375 . . . . 2.44 110.259 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 255' ' ' ILE . 3.7 mp -86.49 129.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.17 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -113.21 128.81 56.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 1.51 111.009 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 p -62.1 -20.85 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.95 111.19 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -82.97 -39.38 21.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 3.43 110.959 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.9 p -74.25 -14.97 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 1.73 110.866 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.97 151.26 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 1.29 110.645 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -146.15 149.89 34.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 3.53 111.074 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -62.05 135.57 57.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 4.17 111.006 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -122.72 95.29 46.68 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.412 . . . . 3.04 110.877 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.71 40.05 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.708 2.272 . . . . 2.3 112.653 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.91 -45.48 35.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 3.07 110.977 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.4 tp -169.06 95.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 3.08 110.659 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -89.52 155.17 48.62 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 4.28 110.597 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.41 160.52 13.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.363 2.042 . . . . 2.41 111.838 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.2 tp -94.97 -65.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 5.24 110.717 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.0 p -136.16 151.71 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 2.67 110.965 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.61 113.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 2.44 111.475 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' HG12 ' A' ' 78' ' ' VAL . 21.3 t -113.73 147.43 38.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 2.58 110.655 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -171.49 34.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 4.87 111.083 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -88.51 -23.32 23.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 4.17 110.194 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -98.09 -2.88 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.583 -0.735 . . . . 4.62 110.555 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -50.27 120.57 4.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.059 -0.519 . . . . 1.97 111.256 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 178' ' ' PHE . 89.5 m -142.74 143.86 32.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.174 -0.466 . . . . 1.9 111.191 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -92.13 157.22 16.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.87 110.524 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 tp -128.01 -39.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.354 -0.385 . . . . 3.58 111.812 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -150.52 153.06 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 4.62 111.403 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.6 mt -132.09 104.69 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.05 -0.523 . . . . 1.72 110.805 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.4 tp -113.12 153.04 28.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 2.58 110.958 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.669 HD22 ' HA ' ' A' ' 169' ' ' LYS . 46.7 m-20 -96.75 157.51 15.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.86 0.362 . . . . 1.94 111.02 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -106.52 23.49 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 3.13 111.429 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.25 81.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.373 -0.918 . . . . 2.64 112.342 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -161.88 -57.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 4.34 110.619 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.93 168.66 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 2.12 110.504 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -120.27 133.91 55.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.929 0.395 . . . . 3.39 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.86 152.4 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 2.57 110.848 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.45 147.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.95 110.785 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -129.06 163.37 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 3.84 110.999 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.65 167.47 10.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.056 -0.52 . . . . 4.12 111.216 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.99 122.7 18.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 3.04 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.99 -10.55 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 3.88 110.731 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -56.72 -35.83 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 3.2 110.959 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -168.01 172.52 8.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 4.06 111.178 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -85.3 124.23 31.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 2.84 110.814 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 71.4 mmtt -90.46 -79.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 3.26 111.398 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.53 136.55 33.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.42 111.501 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.595 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 14.9 p -110.85 148.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 1.72 110.876 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -143.26 117.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 2.3 111.18 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -134.35 152.61 51.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.221 -0.445 . . . . 2.67 110.304 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.86 95.96 0.77 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.484 -0.865 . . . . 2.5 112.886 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.14 -147.85 40.09 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.507 -0.854 . . . . 2.63 112.459 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.81 30.6 0.44 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.596 2.197 . . . . 4.13 112.604 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 tp -70.74 117.98 12.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 3.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 5.04 111.055 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.14 44.96 3.4 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.589 -0.815 . . . . 1.92 112.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -67.72 152.15 46.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 1.68 111.199 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -150.4 142.1 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 3.43 110.063 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HG3' ' HA ' ' A' ' 78' ' ' VAL . 3.7 mpt_? -96.84 111.63 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.991 0.425 . . . . 3.79 111.389 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 122' ' ' HIS . 20.8 tp -128.42 143.47 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 2.52 110.623 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 tp -160.03 92.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.294 0.569 . . . . 2.47 111.464 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -154.03 132.92 12.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.338 -0.846 . . . . 2.41 110.074 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -154.2 160.78 42.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.57 111.719 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.7 p-80 -123.03 167.99 12.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.39 154.4 27.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.024 0.44 . . . . 3.19 111.946 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -116.07 168.59 9.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.738 -0.665 . . . . 1.68 110.334 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -175.51 88.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 5.75 110.433 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 244' ' ' TRP . . . -58.95 179.61 1.48 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.85 -0.69 . . . . 3.04 112.873 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.9 m -70.63 -17.93 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.715 0.293 . . . . 4.29 111.108 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.57 139.85 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 5.2 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -97.75 -4.78 36.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 5.33 111.053 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.09 -45.95 2.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 4.18 112.118 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 11.6 pt20 -172.11 149.59 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 4.67 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.06 50.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 1.95 112.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -90.28 156.18 18.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.529 0.204 . . . . 2.04 110.467 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -54.83 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 2.64 110.822 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -87.61 176.02 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 2.11 110.592 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 32' ' ' ASP . 1.5 t -141.6 99.16 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 1.88 111.251 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 33' ' ' ILE . 20.0 m -89.15 158.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 2.24 111.019 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.5 t70 53.42 28.1 7.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 2.18 110.831 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.6 mttp 63.64 1.2 1.0 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 3.37 111.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -106.71 149.46 27.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 3.86 110.996 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 113' ' ' LYS . 4.4 ttmp? -111.09 150.02 29.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 2.57 110.783 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -108.44 168.05 9.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 2.18 110.923 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -84.06 -51.92 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.384 -0.371 . . . . 1.72 111.127 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.16 167.24 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.55 111.064 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HA ' ' H ' ' A' ' 147' ' ' LEU . 12.3 pt-20 -152.63 142.2 21.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 2.4 111.364 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 145' ' ' ILE . 2.9 pp -92.22 148.01 22.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.221 -0.445 . . . . 2.07 110.363 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -120.54 108.65 14.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 1.71 111.619 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.5 tt -105.56 118.69 37.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 2.51 110.109 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.8 t -95.61 147.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 1.83 111.468 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.658 ' HA ' HD23 ' A' ' 90' ' ' LEU . 83.1 t60 -131.87 148.91 52.57 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.149 -0.478 . . . . 2.43 111.147 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 14.0 p90 -163.79 151.74 12.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 3.95 110.9 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.55 150.92 25.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.059 -0.519 . . . . 2.19 111.244 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 t -82.61 -15.07 53.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 1.77 111.281 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -63.04 -25.45 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 3.65 110.618 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -85.38 -13.73 48.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 4.38 110.727 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.1 -33.67 3.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 2.22 112.581 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -170.74 170.54 6.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.07 111.072 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -65.92 -20.9 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 3.08 110.982 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.16 -42.57 96.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.669 -0.777 . . . . 2.36 112.526 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -86.35 -23.05 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.005 0.431 . . . . 3.63 110.444 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.27 69.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 1.73 111.002 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.18 -14.94 11.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.143 -0.481 . . . . 2.3 111.152 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -77.68 7.04 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 3.84 111.178 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -130.83 155.09 81.9 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 3.22 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.97 -51.53 4.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.303 2.002 . . . . 2.44 112.006 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -111.81 26.48 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 2.64 110.879 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.91 -51.77 47.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 1.49 112.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.84 158.52 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 1.76 110.76 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.27 159.38 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.98 111.138 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 41.9 t -119.35 109.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.3 111.057 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.527 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 3.5 mm? -86.8 107.91 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 2.1 110.738 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -101.6 117.79 5.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 1.4 112.328 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.594 HD12 HD11 ' A' ' 118' ' ' LEU . 86.5 mt -113.9 138.08 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.902 0.382 . . . . 1.53 111.362 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -105.74 115.21 29.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.012 -0.54 . . . . 4.48 110.982 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.485 HD21 HD23 ' A' ' 118' ' ' LEU . 94.3 mt -64.91 151.16 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 3.25 110.947 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 216' ' ' SER . 23.0 pttp -112.91 134.67 54.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 4.32 110.524 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 42.0 t -75.58 144.22 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 3.13 111.213 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.72 170.35 12.72 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.827 -0.701 . . . . 3.15 112.495 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.9 m 60.11 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.898 0.38 . . . . 3.85 110.928 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.4 ' HA ' ' OG ' ' A' ' 218' ' ' SER . . . -62.18 179.43 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.946 -0.57 . . . . 3.82 111.624 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.2 115.75 22.15 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.015 -0.539 . . . . 5.19 111.016 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.41 -6.81 15.73 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.406 2.071 . . . . 3.09 112.077 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 130.39 65.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.237 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 159' ' ' VAL . 17.3 tp -121.48 25.9 9.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 3.94 110.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -58.33 -21.41 49.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 3.55 110.985 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -52.14 -47.84 65.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 4.82 111.731 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.494 HG12 ' HG ' ' A' ' 156' ' ' LEU . 13.2 p -75.89 -25.05 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 3.12 111.403 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.8 -25.8 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.14 111.035 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.33 -44.15 53.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 3.01 110.736 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.62 -21.32 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 2.46 111.181 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -45.29 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 2.31 111.011 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.76 -16.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 2.42 110.71 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.2 t -83.89 -39.83 19.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.993 -0.549 . . . . 1.85 110.798 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 20.8 pt -91.67 37.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 2.44 111.162 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -58.8 -48.88 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 3.75 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.45 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 67.7 p -95.81 148.45 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 2.36 111.01 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.669 ' HA ' HD22 ' A' ' 61' ' ' ASN . 3.9 mptp? -61.38 143.73 55.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 3.46 110.909 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 -15.21 25.4 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.95 -0.643 . . . . 2.2 112.153 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -98.27 173.46 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 3.33 110.92 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 78.7 p -157.25 165.07 36.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 2.27 110.796 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.82 130.37 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.89 110.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -78.9 140.61 38.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 3.74 111.015 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -155.33 105.06 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 4.47 110.587 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.768 HG23 HD22 ' A' ' 177' ' ' ASN . 5.2 t -109.75 179.27 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 4.59 110.885 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.768 HD22 HG23 ' A' ' 176' ' ' THR . 50.3 m-80 60.9 57.0 2.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.909 0.385 . . . . 6.35 111.163 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . 0.657 ' H ' HG23 ' A' ' 55' ' ' THR . 76.7 t80 -82.07 146.75 29.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 4.67 110.481 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -115.75 84.93 13.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 3.92 111.123 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.55 -18.93 66.15 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.433 2.089 . . . . 4.59 111.992 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.483 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 87.1 mtm180 -75.24 -35.11 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 8.64 110.463 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -61.19 -22.63 61.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.596 -0.812 . . . . 3.43 111.924 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 72.1 mt -118.78 1.27 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 5.71 110.839 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 32.3 tp -62.89 116.68 25.92 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 4.53 111.08 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.37 141.46 14.26 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.377 2.051 . . . . 3.71 112.405 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.32 -7.9 52.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 6.38 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 77.4 p -98.71 149.6 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 5.07 110.737 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 189' ' ' ASP . 3.4 tt -149.21 127.93 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 4.32 110.816 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.508 ' N ' HD23 ' A' ' 188' ' ' LEU . 4.5 p30 -170.51 144.33 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 3.78 110.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -144.92 141.11 28.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 3.36 111.296 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.411 ' O ' HG23 ' A' ' 209' ' ' ILE . 35.7 m0 -119.43 170.21 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 4.16 110.563 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.591 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 7.0 t -145.86 153.1 40.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 1.5 111.477 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . 0.427 ' HD1' ' HG2' ' A' ' 256' ' ' LYS . 92.8 t80 -172.3 126.95 0.55 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.085 -0.507 . . . . 2.91 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.13 127.71 20.94 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.175 1.917 . . . . 1.48 111.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -96.16 156.22 21.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.63 -0.795 . . . . 1.64 112.929 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 36.6 m -142.49 179.52 6.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.267 -0.272 . . . . 2.75 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.784 ' HG ' ' H ' ' A' ' 199' ' ' THR . 2.5 pt? -66.89 -167.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.003 -0.279 . . . . 5.98 110.773 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . 0.43 HG23 HG23 ' A' ' 199' ' ' THR . 4.0 t -67.63 -30.11 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.937 0.399 . . . . 5.3 111.37 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.784 ' H ' ' HG ' ' A' ' 197' ' ' LEU . 28.6 p -89.03 165.92 24.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 4.96 110.526 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.626 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 31.3 Cg_exo -36.13 152.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.952 2.434 . . . . 5.64 113.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -40.29 104.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.096 2.531 . . . . 6.0 113.199 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.436 ' HG ' HD23 ' A' ' 203' ' ' LEU . 64.0 tp -139.66 -56.97 0.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 5.41 110.876 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' A' ' 197' ' ' LEU . 17.6 mt -92.42 85.27 5.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.892 0.377 . . . . 5.02 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.49 34.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 3.98 111.22 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 40.7 t -85.05 -8.82 58.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.194 0.521 . . . . 2.48 110.187 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.16 115.12 31.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.506 -0.77 . . . . 1.8 110.912 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.493 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 16.8 m -90.95 142.09 28.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.47 -0.332 . . . . 1.27 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . 0.466 ' HZ3' ' HE2' ' A' ' 119' ' ' HIS . 44.6 m95 -116.78 114.71 24.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.04 0.447 . . . . 2.43 111.699 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.527 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 2.9 mp -102.24 146.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 1.45 109.946 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 16.9 m -130.36 136.9 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.065 0.46 . . . . 2.12 112.2 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 211' ' ' LEU . 3.4 mm? 59.04 39.58 23.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.646 -0.706 . . . . 3.85 111.187 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.1 -43.28 99.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.379 . . . . 5.85 110.534 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -164.69 83.04 1.22 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.22 -0.446 . . . . 5.91 110.88 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.53 151.16 64.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.617 2.212 . . . . 3.58 112.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 71.8 mt -123.66 147.94 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.06 -0.518 . . . . 4.42 110.686 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 148' ' ' LYS . 39.2 t -83.47 107.13 15.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 3.53 111.313 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 147' ' ' LEU . 26.5 m -144.69 144.31 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 2.45 110.404 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 222' ' ' VAL . 84.7 p -116.42 158.59 23.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 3.39 111.488 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 78.3 p -56.19 -27.99 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 2.82 110.595 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.55 -36.28 82.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 4.51 109.96 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -77.11 -27.09 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 3.92 110.053 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 218' ' ' SER . 14.3 t -76.35 -13.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.44 110.467 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.5 tp -62.79 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.6 . . . . 2.8 110.834 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.48 ' HD2' ' H ' ' A' ' 224' ' ' LYS . 1.2 mptp? -85.68 -33.14 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 3.78 110.983 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -75.53 -25.86 57.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 3.33 111.358 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.427 ' HD2' HD12 ' A' ' 223' ' ' LEU . 11.3 ptp180 -81.26 -5.85 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 4.82 110.89 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 97.5 mttt -69.96 -28.61 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 3.25 110.794 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 8.5 mp -57.48 162.01 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.048 -0.524 . . . . 2.93 110.781 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.89 157.45 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 2.92 110.854 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.76 -6.06 7.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 5.3 110.643 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -171.24 163.57 7.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 4.3 110.57 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . 0.45 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . -82.6 178.35 53.33 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.792 -0.718 . . . . 4.09 112.784 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.87 157.58 1.64 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.981 0.42 . . . . 7.57 111.447 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.95 -3.27 44.85 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.839 -0.618 . . . . 6.31 112.361 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -141.17 160.54 57.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.422 -0.214 . . . . 5.7 110.422 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -48.11 137.22 23.53 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.606 2.204 . . . . 6.54 112.324 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.66 118.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.987 -0.552 . . . . 6.78 111.058 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -144.55 150.19 37.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 5.03 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.39 145.66 25.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 5.11 110.757 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 44.8 ttm -65.75 99.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 5.21 110.83 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 242' ' ' ASP . 16.8 m -142.55 178.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.444 -0.344 . . . . 3.44 111.442 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 241' ' ' VAL . 12.8 m-20 67.72 28.19 7.33 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.9 -0.591 . . . . 3.67 110.475 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.51 23.45 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 3.74 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . 0.495 ' HB3' ' HA3' ' A' ' 98' ' ' GLY . 14.8 p-90 -106.26 170.73 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 3.25 110.618 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -136.88 156.62 75.82 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 3.78 110.719 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.12 172.44 1.74 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.328 2.019 . . . . 2.43 112.277 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -155.35 32.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 3.18 111.12 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.11 110.14 2.44 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.108 -0.497 . . . . 5.35 111.224 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.37 127.09 18.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.489 2.126 . . . . 4.02 112.104 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 250' ' ' LEU . 2.9 mm? -78.1 -48.79 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 3.94 110.604 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -170.41 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 6.83 110.73 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -165.03 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 5.02 110.762 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 61.87 151.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.053 -0.522 . . . . 5.82 111.588 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -105.52 135.23 47.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.953 -0.567 . . . . 3.22 110.533 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.602 HG21 HG23 ' A' ' 33' ' ' ILE . 8.4 tp -116.07 142.34 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 2.02 111.348 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.427 ' HG2' ' HD1' ' A' ' 193' ' ' TYR . 21.0 ptmt -112.2 168.48 9.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 2.91 110.18 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.591 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.47 152.15 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.46 111.488 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.537 ' N ' HG22 ' A' ' 192' ' ' THR . 37.8 t -73.51 -22.02 60.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.763 -0.653 . . . . 2.32 109.992 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -112.19 142.58 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.643 -0.708 . . . . 3.3 110.51 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.262 -0.875 . . . . 4.59 111.081 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.397 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.75 0.31 . . . . 32.91 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -135.17 43.51 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 30.03 110.845 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.9 t60 59.04 91.04 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.929 -0.578 . . . . 29.61 111.145 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -107.66 -47.43 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 26.81 110.532 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -117.15 163.38 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.992 -0.549 . . . . 25.62 110.61 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.84 67.75 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.596 -0.811 . . . . 23.39 112.751 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -126.96 -65.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 23.38 110.959 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.9 -8.66 78.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.825 -0.702 . . . . 19.99 112.548 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 35.6 mmtp -72.11 -16.9 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 19.34 110.781 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -94.19 -28.4 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 18.14 110.93 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -78.22 -13.53 59.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 18.74 111.136 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.12 77.88 1.24 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.705 -0.76 . . . . 16.42 112.602 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.408 ' HG3' ' HA ' ' A' ' 9' ' ' LYS . 64.1 Cg_endo -73.17 -43.14 0.78 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.541 2.161 . . . . 15.7 112.247 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.28 137.93 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 15.32 110.874 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -155.81 -65.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 15.63 110.901 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -79.73 -13.15 59.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 11.72 110.673 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -75.35 1.69 13.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 12.77 111.014 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -71.48 -7.28 46.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 15.94 110.773 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.42 -37.41 11.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 12.96 111.135 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -121.23 127.21 26.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 10.55 110.966 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.43 6.36 4.05 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.389 2.059 . . . . 9.69 112.226 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.459 HG21 ' HA ' ' A' ' 201' ' ' PRO . 65.7 mt -60.09 -30.57 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 8.17 110.797 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.59 66.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.523 . . . . 9.4 110.388 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -74.37 -17.74 60.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.961 -0.563 . . . . 13.28 110.285 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.81 -115.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.792 -0.718 . . . . 8.88 112.222 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -155.7 33.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.662 0.268 . . . . 8.92 111.193 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' HA ' ' HG3' ' A' ' 201' ' ' PRO . 99.4 mtt180 59.11 22.05 10.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.058 0.456 . . . . 9.6 110.794 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HB2' ' H ' ' A' ' 196' ' ' SER . 6.1 tp-100 55.63 60.47 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.687 -0.688 . . . . 6.33 110.749 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m -148.99 157.88 39.61 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 3.57 111.117 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.02 126.47 21.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.585 2.19 . . . . 2.88 112.291 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 26' ' ' GLU . 3.4 m -137.02 177.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.17 -0.468 . . . . 2.26 110.958 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.54 98.59 11.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 2.44 110.756 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.9 mp -88.57 132.39 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.53 111.054 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 7.1 m-20 -112.82 129.25 56.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 1.51 111.07 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -80.08 -45.15 18.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.011 -0.54 . . . . 1.95 110.914 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -65.38 -31.49 72.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.996 -0.547 . . . . 3.43 110.551 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 34' ' ' ASP . 27.7 m -86.23 -22.28 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 1.73 111.214 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.13 157.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 1.29 111.214 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -123.14 134.51 54.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 3.53 111.07 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -77.25 131.49 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 4.17 110.834 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -130.09 90.96 40.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 3.04 110.991 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.19 32.1 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.648 2.232 . . . . 2.3 112.334 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.2 t -68.98 -20.75 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 3.07 111.366 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.0 tp -154.23 112.19 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 3.08 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -104.03 144.72 29.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 4.28 110.901 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 45.4 Cg_exo -57.26 130.0 37.1 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.554 2.169 . . . . 2.41 111.913 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.24 -68.2 0.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.404 -0.362 . . . . 5.24 111.426 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.6 m -135.87 151.94 50.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.416 -0.356 . . . . 2.67 111.409 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.28 123.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.423 . . . . 2.44 111.383 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.3 t -113.39 150.78 32.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 2.58 110.725 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -168.9 39.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.063 0.459 . . . . 4.87 110.999 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -92.78 -39.54 11.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 4.17 110.5 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -80.38 -14.48 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 4.62 110.727 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.554 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -55.58 120.5 7.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 1.97 111.0 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.4 m -157.93 148.78 20.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 1.9 111.124 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 175' ' ' PHE . 63.0 m -81.89 151.19 27.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 1.87 110.64 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HH11 ' A' ' 58' ' ' ARG . 31.8 tp -110.61 -39.25 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 3.58 111.318 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.552 HH11 ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -172.13 161.71 5.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 4.62 110.764 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.1 mt -128.99 104.01 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 1.72 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.21 143.76 43.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 2.58 110.996 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 66' ' ' PHE . 1.8 m-20 -105.7 162.67 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 1.94 110.484 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -106.33 23.51 14.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.416 -0.356 . . . . 3.13 111.439 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.79 9.14 82.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 2.64 112.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -151.67 -57.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 4.34 110.468 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.89 153.81 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 2.12 110.514 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . 28.6 p90 -120.84 133.84 55.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 3.39 111.534 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.441 HD22 HE21 ' A' ' 92' ' ' GLN . 3.2 m-20 -132.63 150.22 52.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.831 -0.622 . . . . 2.57 110.281 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.85 111.9 37.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 1.95 111.215 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.02 143.8 26.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 3.84 110.925 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.407 ' HB3' ' HD2' ' A' ' 76' ' ' LYS . 22.5 m-85 -103.58 149.34 24.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 4.12 110.767 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 27.0 t70 -58.8 105.3 0.3 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.546 . . . . 3.04 111.55 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.95 34.63 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 3.88 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -60.31 -43.63 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 3.2 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -143.23 -74.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 4.06 111.093 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.92 164.92 33.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 2.84 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 30.9 mtmm -143.7 -83.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 3.26 111.417 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.79 144.73 51.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 1.42 111.171 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.425 ' HB ' ' OG1' ' A' ' 87' ' ' THR . 19.6 m -138.36 132.43 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.669 . . . . 1.72 110.659 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tt -128.93 123.0 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 2.3 111.053 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -123.88 148.4 46.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 2.67 110.66 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -119.62 84.75 0.38 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.821 -0.704 . . . . 2.5 112.544 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.92 -173.23 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.841 -0.695 . . . . 2.63 112.323 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.94 2.3 5.57 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.034 . . . . 4.13 112.075 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.73 152.18 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 3.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -105.7 12.18 31.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 5.04 110.734 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.12 62.69 0.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 1.92 112.444 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.425 ' OG1' ' HB ' ' A' ' 78' ' ' VAL . 9.8 t -67.1 144.3 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 1.68 111.021 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -91.18 136.25 33.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 3.43 111.012 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -102.42 141.21 35.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 3.79 111.042 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 120' ' ' LEU . 6.5 mp -84.34 141.81 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 2.52 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -117.31 -68.98 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 111.935 0.346 . . . . 2.47 111.935 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.441 HE21 HD22 ' A' ' 67' ' ' ASN . 19.9 pt20 -159.18 169.3 24.45 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.627 0.251 . . . . 2.41 111.339 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 54.1 p90 -152.0 162.48 41.02 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.88 0.371 . . . . 1.57 110.981 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.438 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 12.7 p-80 -131.0 168.9 16.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 1.29 110.892 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -110.8 157.76 19.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.94 0.4 . . . . 3.19 111.583 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.59 173.82 7.18 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.865 -0.607 . . . . 1.68 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -157.9 133.92 9.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 5.75 110.632 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.55 ' HA2' ' HB3' ' A' ' 244' ' ' TRP . . . -76.76 157.07 46.91 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.868 -0.682 . . . . 3.04 112.627 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t -79.3 -17.51 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 4.29 110.777 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 tp -87.52 152.58 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 5.2 110.316 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -87.22 21.6 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 5.33 110.812 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.69 -49.25 0.11 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.846 -0.693 . . . . 4.18 112.642 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -169.93 173.52 6.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.821 0.343 . . . . 4.67 111.126 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.79 80.84 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 1.95 112.543 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.9 t -95.15 -75.49 0.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.665 0.269 . . . . 2.04 110.932 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' A' ' 245' ' ' ARG . 32.5 tt0 -175.8 -76.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 2.64 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -80.56 173.23 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 2.11 110.672 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.6 m -133.74 79.15 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.389 . . . . 1.88 110.942 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.488 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.8 m -81.98 147.55 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 2.24 111.183 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 51.21 39.64 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 2.18 110.82 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 56.22 25.15 8.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 3.37 111.548 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -135.74 155.49 50.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.402 . . . . 3.86 111.332 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -123.34 152.77 41.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.55 . . . . 2.57 110.525 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.41 170.7 7.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 2.18 111.058 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.44 43.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.346 -0.388 . . . . 1.72 111.302 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.96 169.37 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.55 110.81 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -152.78 138.69 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.733 0.301 . . . . 2.4 111.265 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.498 HD23 HD21 ' A' ' 147' ' ' LEU . 4.0 pp -86.74 143.91 27.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 2.07 110.456 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.438 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -109.42 97.22 6.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 1.71 111.176 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.598 HD21 HD23 ' A' ' 90' ' ' LEU . 58.2 tp -105.84 122.61 46.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 2.51 111.037 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.0 t -111.95 123.59 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 1.83 110.841 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -128.08 107.21 9.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 2.43 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -111.49 159.18 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 3.95 110.978 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.02 128.05 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 2.19 110.918 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -63.03 -14.91 53.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.928 -0.578 . . . . 1.77 111.017 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.53 -28.88 69.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 3.65 110.701 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HB3' ' HB3' ' A' ' 132' ' ' LYS . 59.8 m-85 -93.21 -28.96 15.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 4.38 110.852 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.91 -6.17 35.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.846 -0.693 . . . . 2.22 112.593 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -168.9 158.77 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 3.07 110.922 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -73.02 -19.51 61.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.982 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.95 95.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 2.36 112.453 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 127' ' ' TYR . 87.5 tttt -85.57 -21.26 28.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 3.63 110.507 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.45 ' O ' ' HA2' ' A' ' 139' ' ' GLY . . . -70.24 -53.62 16.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.999 -0.546 . . . . 1.73 110.948 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 18.3 m -53.28 -16.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.024 -0.535 . . . . 2.3 111.658 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.05 13.55 1.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.98 0.419 . . . . 3.84 110.599 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -131.62 153.42 81.52 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.842 -0.617 . . . . 3.22 110.46 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.71 -17.63 50.85 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.592 2.195 . . . . 2.44 112.449 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.28 -13.21 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 2.64 110.904 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 133' ' ' ALA . . . 42.6 -123.91 3.78 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 116.035 -0.529 . . . . 1.49 112.737 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.93 167.66 17.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 1.76 110.647 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -113.69 132.88 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.98 111.059 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 132.42 61.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.356 . . . . 1.3 111.372 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 211' ' ' LEU . 13.9 tp -86.87 144.12 27.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 2.1 110.542 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 210' ' ' VAL . . . -121.13 112.97 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.617 -0.802 . . . . 1.4 112.818 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.412 HG12 HD12 ' A' ' 211' ' ' LEU . 71.9 mt -130.41 107.31 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 1.53 110.984 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -69.13 160.53 30.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 4.48 110.796 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 118' ' ' LEU . 98.8 mt -138.76 111.75 7.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 3.25 110.971 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -112.52 147.23 37.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.301 -0.409 . . . . 4.32 110.77 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.27 155.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 3.13 111.466 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 83.32 76.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.854 -0.689 . . . . 3.15 112.73 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -165.6 37.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.333 . . . . 3.85 110.852 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . 61.79 155.46 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.047 -0.524 . . . . 3.82 111.211 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 4.6 ttmp? -89.98 132.65 35.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 5.19 110.5 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.436 ' HG2' ' HG ' ' A' ' 156' ' ' LEU . 91.0 Cg_endo -80.98 25.84 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.405 2.07 . . . . 3.09 112.474 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 81.12 44.05 8.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 2.71 112.653 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.436 ' HG ' ' HG2' ' A' ' 154' ' ' PRO . 79.4 mt -104.43 18.72 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 3.94 110.702 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.74 -21.9 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 3.55 110.796 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -65.01 -35.04 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.958 -0.565 . . . . 4.82 110.933 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.469 HG21 HD22 ' A' ' 177' ' ' ASN . 42.6 t -62.97 -24.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.12 110.627 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' A' ' 224' ' ' LYS . 98.2 t -65.4 -32.35 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 3.14 110.683 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.11 -51.19 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 110.516 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.0 -17.9 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 2.46 111.008 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -51.98 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 2.31 111.068 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -57.61 -12.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 2.42 111.103 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.9 t -86.35 -38.05 17.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 1.85 110.836 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 13.3 pt -91.42 42.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.117 -0.492 . . . . 2.44 111.049 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -69.85 -40.19 75.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.818 -0.628 . . . . 3.75 110.752 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 134.18 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 2.36 111.323 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.539 ' HE3' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.65 145.75 31.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.378 -0.374 . . . . 3.46 110.998 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 93.07 3.84 65.25 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.874 -0.679 . . . . 2.2 113.041 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -109.39 149.86 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 3.33 110.932 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 92.3 p -97.26 165.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.052 -0.522 . . . . 2.27 111.243 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.68 164.63 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 1.89 111.117 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.93 155.79 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 3.74 110.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 50.7 p90 -61.44 136.35 58.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 4.47 110.943 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.9 t -143.83 -172.51 3.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 4.59 110.773 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.469 HD22 HG21 ' A' ' 159' ' ' VAL . 15.7 t-20 60.07 56.81 3.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.299 -0.41 . . . . 6.35 111.08 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -93.09 142.35 27.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 4.67 110.574 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -116.52 91.0 32.41 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 3.92 111.337 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.64 -38.7 23.6 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.38 2.053 . . . . 4.59 111.757 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -90.08 -19.24 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 8.64 110.679 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -72.55 2.68 29.38 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 3.43 112.572 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 45.8 mt -82.09 14.26 2.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.719 0.295 . . . . 5.71 110.753 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.21 151.21 27.89 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.445 . . . . 4.53 110.955 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -52.09 131.94 41.2 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.584 2.19 . . . . 3.71 112.525 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 186' ' ' GLU . 0.0 OUTLIER -80.81 -7.13 59.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 6.38 110.94 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 21.7 p 60.14 175.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.923 -0.58 . . . . 5.07 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 72.4 mt -113.36 58.96 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 4.32 110.95 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -147.85 126.95 12.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.525 . . . . 3.78 110.869 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' A' ' 259' ' ' PHE . 43.5 p90 -168.66 158.01 8.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.395 -0.366 . . . . 3.36 110.689 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.717 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 3.0 m-90 -97.94 153.76 18.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.408 -0.36 . . . . 4.16 110.571 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.525 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -155.87 145.27 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 1.5 111.401 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -144.08 112.03 5.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 2.91 110.569 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.488 ' HA ' HG22 ' A' ' 207' ' ' THR . 50.3 Cg_exo -53.49 149.02 32.11 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.54 2.16 . . . . 1.48 112.688 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -143.69 -141.97 3.88 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.852 -0.689 . . . . 1.64 112.387 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.555 ' H ' ' HB2' ' A' ' 28' ' ' GLN . 80.7 p -135.57 179.8 6.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.765 0.317 . . . . 2.75 111.046 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.561 HD11 HD12 ' A' ' 203' ' ' LEU . 94.4 mt -63.5 -176.88 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 5.98 110.64 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 56.6 m -55.19 -29.54 58.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.16 0.505 . . . . 5.3 110.317 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.531 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 61.1 p -89.93 164.1 29.72 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 4.96 110.707 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 95.3 Cg_exo -43.65 164.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.619 2.213 . . . . 5.64 112.636 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.476 ' HG3' ' HA ' ' A' ' 27' ' ' ARG . 58.2 Cg_exo -35.31 98.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.131 2.554 . . . . 6.0 112.984 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.2 tp -132.16 -47.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 5.41 111.387 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 197' ' ' LEU . 80.9 mt -146.05 130.81 18.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.853 0.358 . . . . 5.02 111.313 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 16.87 3.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 3.98 110.538 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 78.6 m -58.35 -17.45 20.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 2.48 110.988 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 45.9 t -123.97 122.65 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.8 111.155 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 194' ' ' PRO . 33.6 p -112.86 149.39 33.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 1.27 111.14 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -94.26 119.92 33.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.848 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.8 mp -115.03 140.56 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 1.45 110.72 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.494 HG12 ' HA3' ' A' ' 144' ' ' GLY . 11.0 m -137.22 119.81 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 2.12 111.452 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 143' ' ' LEU . 85.0 mt -62.22 152.44 33.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.615 . . . . 3.85 111.038 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -81.12 -13.41 58.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 5.85 111.324 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -116.74 85.79 17.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 5.91 110.869 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.82 141.9 17.35 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.621 2.214 . . . . 3.58 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 49.9 mm -72.37 146.98 10.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 4.42 110.865 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 t -127.26 127.74 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 3.53 111.132 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.22 169.54 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 2.45 110.942 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 37.1 t -103.59 148.1 26.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 3.39 110.799 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 48.4 t -60.2 -26.59 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 2.82 110.624 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -85.16 -20.35 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 4.51 110.69 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.97 -44.71 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 3.92 110.678 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.04 -15.55 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 2.44 110.924 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 62.7 tp -50.85 -45.05 59.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 2.8 111.242 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 0.5 OUTLIER -66.2 -29.97 70.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.349 . . . . 3.78 110.915 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.33 -26.94 62.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 3.33 110.873 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -70.53 -16.1 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 4.82 110.741 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -80.16 -30.51 38.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 3.25 111.203 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.11 162.3 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.416 -0.356 . . . . 2.93 110.93 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -99.32 147.14 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 2.92 111.127 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.434 ' C ' ' HG2' ' A' ' 169' ' ' LYS . 80.2 m-85 -104.3 3.86 33.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 5.3 111.117 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -133.76 107.57 7.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 4.3 111.365 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -80.25 -154.21 9.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 4.09 112.426 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -60.99 148.53 39.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 7.57 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 81.06 3.81 90.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.855 -0.688 . . . . 6.31 112.56 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 236' ' ' PRO . 9.8 mm-40 -136.87 145.87 52.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.496 0.189 . . . . 5.7 110.92 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 235' ' ' GLU . 24.4 Cg_exo -63.98 134.05 41.33 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.594 2.196 . . . . 6.54 112.376 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.39 92.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 6.78 111.024 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -139.26 160.86 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 5.03 110.504 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 66.8 mt -106.35 101.7 11.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.72 0.295 . . . . 5.11 111.267 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 21.4 ptm 32.3 45.06 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.568 -0.742 . . . . 5.21 111.902 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 31.3 m -78.42 171.96 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.779 -0.646 . . . . 3.44 111.296 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 62.24 31.63 17.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 3.67 110.874 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.03 43.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 3.74 110.937 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . 0.55 ' HB3' ' HA2' ' A' ' 98' ' ' GLY . 48.7 p-90 -136.3 161.75 34.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.183 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.483 ' HB3' ' HG3' ' A' ' 106' ' ' GLU . 14.5 tpt180 -141.0 131.08 13.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.769 -0.65 . . . . 3.78 110.765 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.14 153.17 79.13 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.407 2.072 . . . . 2.43 112.252 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -106.21 156.54 18.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.402 -0.363 . . . . 3.18 111.24 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 155.16 75.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 5.35 110.801 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 137.91 36.32 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.435 2.09 . . . . 4.02 112.198 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.25 -43.56 92.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.869 -0.605 . . . . 3.94 110.662 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 62.14 5.99 1.66 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.697 -0.683 . . . . 6.83 111.475 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . 0.443 HD22 ' H ' ' A' ' 254' ' ' GLN . 4.7 t30 -104.24 -29.08 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 5.02 110.526 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 69.52 0.62 3.01 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.658 -0.701 . . . . 5.82 111.544 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . 0.443 ' H ' HD22 ' A' ' 252' ' ' ASN . 79.0 mt-30 -144.12 117.35 8.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.808 0.337 . . . . 3.22 111.252 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 33' ' ' ILE . 7.9 tp -115.57 138.98 44.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 2.02 110.496 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' A' ' 256' ' ' LYS . 0.0 OUTLIER -97.14 160.35 14.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 2.91 110.929 -179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.717 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -158.62 168.22 27.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.862 -0.608 . . . . 1.46 110.813 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.6 t -78.29 -39.16 40.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.194 -0.457 . . . . 2.32 110.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.563 ' HB2' ' H ' ' A' ' 190' ' ' TYR . 90.7 m-85 -140.63 135.52 31.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.579 . . . . 3.3 111.038 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 23.3 tptm . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 4.59 111.137 -179.76 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.434 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.813 0.34 . . . . 32.91 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -61.38 105.07 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 30.03 110.779 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 56.34 74.22 0.4 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.03 -0.532 . . . . 29.61 110.962 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -169.02 140.95 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 26.81 110.793 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -141.21 162.65 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 25.62 110.823 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.21 165.75 29.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 23.39 112.183 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -112.61 -62.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.293 . . . . 23.38 110.772 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.12 155.17 26.01 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.861 -0.685 . . . . 19.99 112.626 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -77.04 -46.98 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 19.34 110.826 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.68 -14.72 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 18.14 110.542 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.92 2.34 46.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 18.74 110.812 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.79 175.36 16.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 16.42 112.496 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.04 134.58 37.46 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.637 2.225 . . . . 15.7 112.281 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -149.6 12.29 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 15.32 110.867 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -88.54 91.47 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 15.63 110.765 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -61.74 -16.68 51.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 11.72 110.673 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.21 -34.59 72.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.816 -0.629 . . . . 12.77 110.279 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -98.98 15.52 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 15.94 111.141 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -125.28 -75.37 0.59 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 12.96 111.301 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 96.4 m-85 -88.95 141.26 29.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 10.55 111.035 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD2' ' HG2' ' A' ' 200' ' ' PRO . 16.0 Cg_exo -67.85 -3.17 9.96 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.645 2.23 . . . . 9.69 112.018 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' A' ' 203' ' ' LEU . 2.1 mp -78.46 -41.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 8.17 110.588 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.04 28.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 9.4 110.484 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -71.88 -13.26 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 13.28 110.472 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.58 -78.5 1.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 8.88 112.467 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 43.4 tt0 -60.12 114.09 2.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.718 0.294 . . . . 8.92 111.081 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -114.0 9.61 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 9.6 110.901 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' HG2' ' HG3' ' A' ' 26' ' ' GLU . 29.3 pt20 -87.82 176.39 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 6.33 110.846 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.7 p -167.83 78.14 0.9 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 3.57 110.693 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 246' ' ' PRO . 18.8 Cg_endo -58.72 125.2 17.58 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.544 2.163 . . . . 2.88 112.169 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 33' ' ' ILE . 29.3 m -142.2 176.7 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.979 -0.555 . . . . 2.26 110.636 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -82.55 98.79 9.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.206 -0.452 . . . . 2.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.539 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 2.2 mm -76.96 140.84 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.62 . . . . 1.53 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -110.76 117.81 34.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.02 0.438 . . . . 1.51 111.009 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -80.28 -20.66 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.601 . . . . 1.95 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -79.45 -39.69 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.886 -0.597 . . . . 3.43 110.622 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -85.48 -13.78 48.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 1.73 111.0 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 152.47 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.29 111.224 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -135.09 138.31 43.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 3.53 110.786 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 29.1 p90 -83.55 150.42 25.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 4.17 110.969 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -125.84 130.65 23.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 3.04 110.597 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.53 34.53 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.393 2.062 . . . . 2.3 112.548 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -89.68 -33.5 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 3.07 111.147 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.8 mt -115.21 154.43 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 3.08 111.269 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.34 153.53 41.93 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.176 -0.465 . . . . 4.28 110.943 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.16 125.66 19.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.388 2.059 . . . . 2.41 111.876 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.561 ' HB3' ' HA3' ' A' ' 81' ' ' GLY . 3.9 pp -97.88 155.65 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 5.24 111.188 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -123.24 140.36 53.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 2.67 110.803 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 79' ' ' LEU . 24.8 m -102.72 139.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.594 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -113.51 149.57 34.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.066 -0.516 . . . . 2.58 110.597 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -167.45 40.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 4.87 110.779 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.39 -20.97 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.981 -0.554 . . . . 4.17 110.366 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 76' ' ' LYS . 13.4 pt20 -135.55 18.72 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 4.62 111.084 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -53.97 120.7 6.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.559 -0.291 . . . . 1.97 111.138 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 176' ' ' THR . 31.4 m -148.7 141.4 24.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 1.9 111.205 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.8 p -89.29 164.21 15.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 1.87 110.847 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -111.54 -38.92 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 3.58 111.282 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -177.77 168.93 2.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.393 -0.367 . . . . 4.62 110.868 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tt -132.87 117.47 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.072 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.3 mt -113.33 154.04 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 2.58 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.39 156.55 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 1.94 110.666 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -106.79 23.49 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 3.13 110.951 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.05 -7.46 81.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.643 -0.789 . . . . 2.64 112.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -146.21 -66.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.718 0.294 . . . . 4.34 110.769 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.86 159.15 15.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.387 . . . . 2.12 110.803 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -124.45 137.09 54.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 3.39 110.95 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -132.96 150.95 52.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 2.57 110.666 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 93' ' ' PHE . 7.3 p -107.4 137.97 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.764 0.316 . . . . 1.95 111.103 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -112.13 135.85 52.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.84 110.902 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -100.03 151.6 21.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 4.12 110.764 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.94 129.5 42.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 3.04 111.147 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -96.12 -19.3 19.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 3.88 110.977 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -69.93 -7.06 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 3.2 110.658 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -165.99 95.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.965 -0.561 . . . . 4.06 110.533 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.62 111.63 0.68 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 2.84 111.136 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 46.1 mmtm -82.62 -62.21 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 3.26 110.856 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB3' HD21 ' A' ' 90' ' ' LEU . . . -111.21 117.43 33.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 1.42 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 p -135.71 150.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.72 110.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -130.06 154.85 47.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.3 110.789 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG2' HG22 ' A' ' 87' ' ' THR . 52.3 mtpt -130.4 145.11 51.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.354 -0.384 . . . . 2.67 111.234 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA3' ' HB3' ' A' ' 47' ' ' LEU . . . -170.31 178.57 42.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.969 -0.634 . . . . 2.5 112.179 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.44 175.08 7.71 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.425 -0.893 . . . . 2.63 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.17 -50.38 2.9 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.674 2.249 . . . . 4.13 112.359 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -54.38 144.94 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 3.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -85.82 3.54 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 5.04 110.864 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.89 131.51 31.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.592 -0.813 . . . . 1.92 111.962 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 80' ' ' LYS . 33.5 p -87.44 156.31 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.391 . . . . 1.68 111.463 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -119.44 118.01 29.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 3.43 110.892 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -103.45 151.2 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 3.79 110.763 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -82.66 140.56 33.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.89 0.376 . . . . 2.52 110.642 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 123' ' ' TRP . 7.4 mt -103.73 -75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 2.47 111.618 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -159.52 159.17 33.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.626 -0.261 . . . . 2.41 111.389 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HD2' HG12 ' A' ' 68' ' ' VAL . 3.2 p90 -122.55 159.44 27.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 1.57 110.301 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -152.61 169.1 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 1.29 111.127 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -110.49 150.86 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.159 -0.473 . . . . 3.19 110.506 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -99.74 147.84 25.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.68 111.05 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -85.72 156.0 20.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 5.75 110.712 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.9 -176.71 31.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.915 -0.66 . . . . 3.04 112.214 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.465 ' H ' ' HB3' ' A' ' 244' ' ' TRP . 69.6 m -93.49 -34.91 13.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 4.29 111.156 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' H ' ' HB2' ' A' ' 244' ' ' TRP . 8.0 mp -109.61 140.33 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 5.2 110.739 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -117.55 79.06 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 5.33 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.34 -37.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.81 -0.709 . . . . 4.18 112.459 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 3.6 pt20 -163.88 158.31 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 4.67 110.819 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.518 ' HA2' ' HD2' ' A' ' 113' ' ' LYS . . . 120.18 83.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 1.95 112.637 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 83.8 p -87.95 176.26 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.71 0.29 . . . . 2.04 110.762 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.37 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 2.64 111.003 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -91.66 164.97 13.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 2.11 110.36 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 113' ' ' LYS . 81.3 p -138.86 104.76 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.506 -0.316 . . . . 1.88 111.094 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.539 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 34.9 m -88.78 148.95 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.393 . . . . 2.24 111.217 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 17.2 t70 54.71 32.68 17.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.921 -0.582 . . . . 2.18 110.564 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 59.18 23.62 11.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 3.37 110.803 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 46.5 mmtm -111.81 129.0 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.864 -0.607 . . . . 3.86 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.518 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 25.5 ttpp -108.32 147.84 30.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.4 . . . . 2.57 110.55 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -107.59 174.0 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.18 110.934 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -81.55 -53.34 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 1.72 111.051 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.99 173.03 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 1.55 110.832 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 132.36 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 2.4 111.772 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.499 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.5 mt -87.7 148.15 24.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 2.07 110.119 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 3.8 t-160 -119.5 95.52 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 1.71 111.011 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.4 tp -105.57 123.03 47.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 2.51 110.945 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 142' ' ' VAL . 27.7 t -99.78 147.67 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.391 . . . . 1.83 111.021 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -124.21 137.22 54.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 2.43 111.008 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.463 ' HB3' HD11 ' A' ' 91' ' ' ILE . 5.6 p-90 -116.75 145.4 43.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 3.95 110.7 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -81.02 131.53 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 2.19 111.06 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 t -80.5 -15.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.77 110.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.7 -34.07 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.93 -0.577 . . . . 3.65 110.785 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -85.91 -29.84 23.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 4.38 110.718 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.11 -0.87 7.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.979 -0.629 . . . . 2.22 113.181 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -142.8 145.02 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 3.07 111.246 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -81.64 -30.65 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 3.08 110.651 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.29 65.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 2.36 112.175 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -86.54 -21.23 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.955 0.407 . . . . 3.63 110.412 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.46 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -76.42 -50.09 15.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.831 -0.622 . . . . 1.73 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 m -55.7 -23.38 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 2.3 111.337 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -78.17 -28.76 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 3.84 111.065 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -95.39 147.58 33.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 3.22 110.818 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.78 -13.01 34.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.485 2.124 . . . . 2.44 112.033 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.13 13.76 13.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.536 . . . . 2.64 110.825 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -52.03 -60.15 7.94 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.015 -0.612 . . . . 1.49 112.889 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.9 pt? -139.39 146.5 40.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.788 0.328 . . . . 1.76 110.753 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -115.68 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.98 111.037 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 121' ' ' VAL . 59.1 t -91.8 131.54 38.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 1.3 111.158 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD12 ' HB ' ' A' ' 209' ' ' ILE . 64.9 tp -108.15 139.25 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.1 110.827 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -107.72 112.15 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 1.4 112.406 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.499 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 48.2 mm -99.08 142.68 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.77 0.319 . . . . 1.53 111.156 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -111.19 165.19 12.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 4.48 111.054 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.97 140.93 47.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 3.25 110.852 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -137.41 139.1 40.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 4.32 110.997 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.37 141.81 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 3.13 110.912 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.26 -176.32 20.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 3.15 112.376 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.6 t 57.03 73.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 3.85 110.774 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.8 163.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 3.82 111.68 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.546 ' HB2' HE21 ' A' ' 221' ' ' GLN . 7.8 ttpm? -67.5 117.21 45.03 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 5.19 110.929 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.82 -22.51 20.1 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.288 1.992 . . . . 3.09 112.356 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 149.69 59.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.669 -0.777 . . . . 2.71 112.684 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.95 17.66 15.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 3.94 110.651 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.81 -25.91 61.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.929 -0.578 . . . . 3.55 111.16 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -63.19 -34.94 78.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 4.82 110.747 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.27 -26.33 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 3.12 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.539 HG22 ' HG2' ' A' ' 224' ' ' LYS . 90.4 t -56.71 -32.05 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.044 -0.525 . . . . 3.14 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -79.61 -25.75 41.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 3.01 110.232 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.24 -19.23 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.691 -0.686 . . . . 2.46 110.946 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.15 -35.89 64.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 2.31 111.076 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.03 -12.68 12.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.01 -0.541 . . . . 2.42 110.866 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 37.3 t -65.2 -24.27 67.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 1.85 111.229 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -134.8 42.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 2.44 111.348 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.481 ' HA ' ' HG ' ' A' ' 228' ' ' LEU . 60.8 pttt -59.88 -34.31 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.338 -0.392 . . . . 3.75 111.055 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.514 HG22 HD22 ' A' ' 229' ' ' ASN . 70.0 p -92.24 157.2 16.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 2.36 111.041 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.4 OUTLIER -79.31 142.54 36.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.112 -0.495 . . . . 3.46 110.869 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 108.26 -15.33 36.1 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.9 -0.666 . . . . 2.2 111.92 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.459 ' HB3' HG22 ' A' ' 166' ' ' ILE . 35.8 mmtp -87.86 177.23 7.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 3.33 111.017 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 96.7 p -150.72 162.8 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.27 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -158.9 137.24 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 1.89 111.088 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -93.59 143.93 25.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 3.74 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -138.16 155.9 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 4.47 111.057 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 55' ' ' THR . 6.0 t -133.97 167.21 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 4.59 110.893 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.54 56.56 3.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 6.35 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -95.85 109.28 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 4.67 110.46 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -145.71 81.87 9.77 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 3.92 111.297 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -77.62 -29.71 4.42 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.547 2.164 . . . . 4.59 112.3 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.511 ' HD3' HD12 ' A' ' 184' ' ' LEU . 30.5 mmt180 -82.24 -6.95 59.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 8.64 110.635 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -57.36 -22.61 45.23 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.829 -0.7 . . . . 3.43 112.727 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 183' ' ' LEU . 3.8 mm? -97.98 -16.16 19.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.709 0.29 . . . . 5.71 111.13 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.511 HD12 ' HD3' ' A' ' 181' ' ' ARG . 39.3 mt -97.41 137.26 21.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.325 -0.398 . . . . 4.53 111.076 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 148.35 29.75 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.469 2.112 . . . . 3.71 112.281 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.89 -8.65 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 6.38 111.013 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 40.3 t -95.35 101.21 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.07 110.81 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.0 pp -163.81 158.44 20.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 4.32 111.204 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.99 177.38 4.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 3.78 110.558 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 211' ' ' LEU . 43.3 p90 -169.84 145.76 3.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.847 0.355 . . . . 3.36 111.123 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -88.91 161.96 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.563 -0.532 . . . . 4.16 109.563 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.699 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -137.88 132.04 31.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.993 0.425 . . . . 1.5 111.907 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.24 74.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.63 . . . . 2.91 110.146 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.647 ' HA ' ' H ' ' A' ' 208' ' ' TRP . 71.4 Cg_exo -49.79 142.02 26.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.858 2.372 . . . . 1.48 112.866 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.538 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -90.42 14.12 63.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.83 -0.7 . . . . 1.64 112.155 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 197' ' ' LEU . 67.6 m -113.87 -174.0 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.378 -0.23 . . . . 2.75 110.378 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 196' ' ' SER . 35.5 tp 73.97 -66.72 0.29 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.408 0.442 . . . . 5.98 111.51 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 10.1 m -64.65 -12.93 51.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 5.3 110.764 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 29.9 p -92.26 162.41 30.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 4.96 111.149 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 86.2 Cg_exo -45.07 159.91 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.612 2.208 . . . . 5.64 112.483 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 8.2 Cg_exo -72.54 28.71 0.27 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.851 2.367 . . . . 6.0 113.065 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 69.8 mt -108.22 -53.93 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 5.41 110.859 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' A' ' 22' ' ' ILE . 28.8 tp -107.08 111.29 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 5.02 110.645 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -140.32 21.74 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 3.98 110.913 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 26.0 p -114.46 20.9 15.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 2.48 110.87 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 10.6 t -127.37 110.43 22.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.229 -0.442 . . . . 1.8 111.267 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.538 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 8.9 t -113.02 147.49 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 1.27 110.564 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . 0.647 ' H ' ' HA ' ' A' ' 194' ' ' PRO . 16.5 t-105 -111.08 108.21 17.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 2.43 111.029 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.479 ' HB ' HD12 ' A' ' 143' ' ' LEU . 6.8 mm -105.89 153.19 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.634 . . . . 1.45 110.506 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 15.9 m -142.18 131.44 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.954 0.407 . . . . 2.12 111.479 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 190' ' ' TYR . 13.3 mt -85.61 158.43 20.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 3.85 110.935 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -88.51 -38.33 15.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 5.85 111.225 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -118.96 83.0 22.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 5.91 111.001 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.25 171.13 17.51 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.557 2.171 . . . . 3.58 112.352 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 16.5 tt -75.84 141.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 4.42 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 72.6 p -101.87 127.93 48.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.502 . . . . 3.53 111.069 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 12.5 p -109.4 143.8 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 2.45 110.864 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 46.4 t -77.59 148.14 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 3.39 111.083 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.4 p -66.45 -14.52 62.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 2.82 110.609 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -86.1 -24.98 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 4.51 110.783 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.546 HE21 ' HB2' ' A' ' 153' ' ' LYS . 79.1 mm-40 -69.79 -32.56 71.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.191 -0.459 . . . . 3.92 111.462 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.45 ' HA ' ' HD1' ' A' ' 225' ' ' PHE . 34.6 m -74.19 -8.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 2.44 111.05 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.81 -24.62 48.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 2.8 110.647 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 160' ' ' VAL . 3.2 mptp? -76.56 -33.6 58.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 3.78 110.717 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . 0.45 ' HD1' ' HA ' ' A' ' 222' ' ' VAL . 96.9 m-85 -69.28 -24.0 63.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 3.33 111.03 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 222' ' ' VAL . 81.8 mtp180 -70.61 -18.28 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 4.82 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -71.37 -18.0 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 3.25 110.97 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.481 ' HG ' ' HA ' ' A' ' 167' ' ' LYS . 7.9 mp -78.99 162.03 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 2.93 110.929 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . 0.514 HD22 HG22 ' A' ' 168' ' ' THR . 95.0 m-20 -90.4 179.23 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.977 -0.556 . . . . 2.92 111.491 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -91.54 -9.64 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.818 -0.628 . . . . 5.3 111.07 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 169' ' ' LYS . 7.3 t30 -167.2 -16.16 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.79 0.329 . . . . 4.3 111.109 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 143.46 -168.83 26.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 4.09 112.638 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.4 OUTLIER -60.22 157.09 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 7.57 110.86 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 71.79 15.3 75.85 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.769 -0.729 . . . . 6.31 112.308 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 236' ' ' PRO . 9.3 mm-40 -116.44 137.16 23.35 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.385 0.136 . . . . 5.7 110.851 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 235' ' ' GLU . 36.0 Cg_exo -58.52 146.91 89.06 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.475 2.117 . . . . 6.54 112.07 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.02 92.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 6.78 110.966 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -136.85 138.09 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 5.03 110.726 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.64 125.9 25.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 5.11 110.95 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.522 ' HG3' HG22 ' A' ' 241' ' ' VAL . 25.4 ptp -61.36 -34.82 75.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 5.21 110.619 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 240' ' ' MET . 27.8 m -145.54 175.78 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.637 -0.71 . . . . 3.44 111.033 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -135.7 -167.99 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 3.67 110.535 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -131.28 53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 3.74 111.073 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . 0.5 ' HB2' ' H ' ' A' ' 100' ' ' LEU . 67.4 t-105 -121.89 115.91 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 3.25 110.985 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.595 ' HA ' ' HE ' ' A' ' 245' ' ' ARG . 1.6 mmp_? -135.68 150.38 71.76 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 3.78 110.591 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.582 ' HB2' ' HG2' ' A' ' 30' ' ' PRO . 34.8 Cg_exo -57.62 164.82 6.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.523 2.148 . . . . 2.43 112.239 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.38 38.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 3.18 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.21 120.96 66.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 5.35 110.462 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 251' ' ' LYS . 31.8 Cg_exo -58.43 123.89 14.62 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.252 1.968 . . . . 4.02 112.116 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 18.7 tp -79.8 -8.78 59.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 3.94 110.559 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 249' ' ' PRO . 44.6 mmtm 58.59 17.49 5.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 6.83 111.047 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.17 150.02 48.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.29 -0.414 . . . . 5.02 110.488 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 253' ' ' ARG . 5.9 mpt_? -111.16 2.92 18.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 5.82 111.554 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.01 117.07 1.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 3.22 111.206 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 5.7 tp -116.61 124.39 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 2.02 110.861 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.41 141.05 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 2.91 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.699 ' HA ' ' H ' ' A' ' 192' ' ' THR . . . -164.5 170.94 15.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 1.46 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 192' ' ' THR . 29.8 t -102.28 -2.06 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 2.32 110.255 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.41 ' C ' ' HB3' ' A' ' 40' ' ' TYR . 73.1 t80 -111.77 148.23 33.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.702 -0.681 . . . . 3.3 110.595 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 62.1 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.037 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.455 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.858 0.361 . . . . 32.91 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -83.76 97.5 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 30.03 110.926 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -134.75 98.22 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 29.61 110.776 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -90.84 146.07 24.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 26.81 110.914 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -127.24 134.84 50.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 25.62 110.853 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.77 12.35 6.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 23.39 112.756 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -96.36 175.84 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 23.38 111.152 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.14 70.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.855 -0.688 . . . . 19.99 112.4 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -81.63 -36.32 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 19.34 111.064 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -84.17 4.09 32.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 18.14 110.989 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -99.39 -13.44 19.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 18.74 110.655 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.86 69.38 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.847 -0.692 . . . . 16.42 112.288 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.18 134.96 67.41 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.566 2.177 . . . . 15.7 112.417 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -111.84 -63.69 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 15.32 110.619 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 55.44 92.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 15.63 111.501 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -77.11 -29.89 55.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 11.72 110.736 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 18.2 p80 -74.86 -13.78 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 12.77 110.64 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -84.21 -19.98 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 15.94 110.645 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -117.11 -62.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.124 -0.489 . . . . 12.96 110.983 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.17 124.32 66.84 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 10.55 110.711 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 10.2 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.19 1.927 . . . . 9.69 111.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.0 mt -81.21 -32.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 8.17 110.73 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.98 -31.34 19.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.966 -0.561 . . . . 9.4 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 26.8 tptp -74.19 -17.93 60.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 13.28 111.325 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.75 -26.74 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.45 -0.881 . . . . 8.88 112.823 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 56.73 82.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 8.92 110.642 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -120.26 18.73 12.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.965 -0.562 . . . . 9.6 110.598 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.96 14.76 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 6.33 111.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 m -152.75 155.25 32.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.428 -0.351 . . . . 3.57 111.147 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.97 132.78 51.59 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.661 2.241 . . . . 2.88 112.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 249' ' ' PRO . 75.7 t -141.41 152.43 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 2.26 110.699 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 3.2 m-20 -76.41 98.49 4.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.349 . . . . 2.44 110.442 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 255' ' ' ILE . 2.7 mp -91.06 147.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.338 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 37' ' ' THR . 9.0 m-20 -109.95 129.36 55.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 1.51 111.076 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -72.81 -17.8 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 1.95 110.734 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -74.17 -40.95 62.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.798 -0.637 . . . . 3.43 111.061 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 34' ' ' ASP . 14.9 t -75.23 -5.37 44.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 1.73 111.033 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 157.63 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 1.29 111.221 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -122.66 149.64 43.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.294 -0.412 . . . . 3.53 110.644 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 260' ' ' LYS . 10.2 p90 -81.03 114.21 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 4.17 111.217 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -128.16 90.92 45.89 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 3.04 110.836 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.02 53.7 4.69 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.55 2.167 . . . . 2.3 112.626 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -87.22 -41.95 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 3.07 110.683 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.7 mm? -91.57 94.23 9.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 3.08 110.621 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -99.9 147.68 33.78 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.379 -0.373 . . . . 4.28 111.024 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 125.78 9.37 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.266 1.978 . . . . 2.41 111.778 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.1 tp -124.28 -62.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 5.24 110.946 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.503 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 55.1 m -135.82 139.82 43.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 2.67 111.061 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 m -150.75 124.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 2.44 111.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 m -113.37 142.65 45.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 2.58 110.814 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -177.7 37.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 4.87 111.002 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -92.64 -43.94 8.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 4.17 110.819 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -89.68 -4.85 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 4.62 110.755 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -52.08 120.66 5.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.277 -0.42 . . . . 1.97 110.791 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.578 HG23 ' H ' ' A' ' 178' ' ' PHE . 85.7 m -157.5 145.44 18.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 1.9 111.68 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.7 m -92.64 150.79 20.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.85 -0.614 . . . . 1.87 110.157 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.3 tp -111.6 -38.02 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 3.58 111.794 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 59' ' ' ILE . 42.1 ttp180 -159.5 157.69 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.985 0.421 . . . . 4.62 111.754 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 14.2 tt -131.01 126.75 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.782 -0.644 . . . . 1.72 110.418 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 172' ' ' SER . 43.3 tp -112.87 148.12 35.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 2.58 111.01 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -109.05 155.1 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.94 110.776 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.56 23.89 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 3.13 111.739 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 78.28 14.63 82.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.453 -0.88 . . . . 2.64 112.608 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -178.77 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 4.34 110.752 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.68 125.3 50.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.308 -0.405 . . . . 2.12 110.621 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' HD2' HD11 ' A' ' 59' ' ' ILE . 45.7 p90 -123.21 139.66 53.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 3.39 111.733 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -131.67 152.47 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.782 -0.645 . . . . 2.57 109.786 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -92.17 138.02 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.616 0.246 . . . . 1.95 110.987 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 92' ' ' GLN . 9.9 pt-20 -119.14 143.75 47.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 3.84 111.453 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.85 172.21 6.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.556 . . . . 4.12 110.882 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 20.9 t70 -59.99 120.57 9.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 3.04 110.753 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -94.31 -14.96 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.292 -0.413 . . . . 3.88 110.945 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.3 t -71.51 -11.45 60.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.478 . . . . 3.2 111.146 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -154.66 153.69 31.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.313 -0.403 . . . . 4.06 110.817 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.09 118.58 18.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.446 . . . . 2.84 110.857 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 70.7 mmtt -91.09 -82.4 0.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 3.26 111.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -115.21 123.35 48.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 1.42 111.71 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.36 165.04 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 1.72 110.658 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 5.4 mp -129.91 155.72 45.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 2.3 110.822 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 62.7 mttp -145.69 143.39 29.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.702 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.637 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . -99.02 -176.24 31.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.678 -0.772 . . . . 2.5 112.564 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.69 -87.54 0.34 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.607 -0.806 . . . . 2.63 112.75 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.25 -60.47 0.61 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.6 2.2 . . . . 4.13 112.686 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 ' HA3' ' A' ' 81' ' ' GLY . 2.0 pt? -63.65 145.85 54.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.765 0.317 . . . . 3.0 110.951 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -100.57 13.14 35.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 5.04 110.593 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.77 132.12 21.84 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.836 -0.697 . . . . 1.92 112.49 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.8 m -108.73 126.43 52.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 1.68 110.969 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 83.0 m-85 -86.43 122.73 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 3.43 110.625 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -96.15 153.49 17.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 3.79 110.716 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.9 tt -118.78 128.93 54.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.929 -0.397 . . . . 2.52 109.929 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -119.5 -69.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.193 0.442 . . . . 2.47 112.193 -179.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.604 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 15.7 mt-30 -139.43 162.96 33.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.83 0.348 . . . . 2.41 111.617 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -155.05 161.64 41.27 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.188 -0.46 . . . . 1.57 110.837 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.2 p-80 -147.58 168.27 22.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 1.29 110.49 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 118' ' ' LEU . 13.2 p90 -117.13 147.92 42.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.901 0.382 . . . . 3.19 111.875 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -107.28 165.91 11.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.966 -0.561 . . . . 1.68 110.929 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -147.59 167.29 24.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.29 -0.414 . . . . 5.75 111.107 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.2 156.06 22.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.083 -0.579 . . . . 3.04 112.338 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 -18.76 60.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 4.29 111.031 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -96.7 153.31 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 5.2 110.973 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -97.91 29.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 5.33 110.734 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.47 -46.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.855 -0.688 . . . . 4.18 112.525 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -166.65 157.79 12.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.803 0.335 . . . . 4.67 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 148.86 71.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.488 -0.863 . . . . 1.95 113.089 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.9 m -126.28 -82.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 2.04 110.802 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 245' ' ' ARG . 46.3 mt-10 -151.09 -88.28 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.384 -0.371 . . . . 2.64 111.42 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.46 171.89 8.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 2.11 111.356 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 86.8 m -139.56 91.33 2.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 1.88 110.728 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.52 147.81 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 2.24 111.024 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.8 37.66 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.86 -0.609 . . . . 2.18 110.816 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 59.2 24.87 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.931 0.396 . . . . 3.37 111.079 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.414 ' C ' HG23 ' A' ' 108' ' ' THR . 32.6 mmmt -136.15 123.36 21.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 3.86 110.831 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -83.98 144.58 29.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 2.57 110.995 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -70.39 140.93 52.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 2.18 110.529 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.62 -28.84 22.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 1.72 110.773 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.28 136.61 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 1.55 110.114 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -152.45 138.57 18.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 2.4 111.265 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 HD21 ' A' ' 147' ' ' LEU . 4.4 pp -87.18 147.9 25.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 2.07 111.289 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -101.38 121.56 42.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.907 -0.588 . . . . 1.71 110.958 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 90.9 mt -102.37 116.57 32.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 2.51 110.879 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.5 t -88.46 121.92 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 1.83 110.824 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -131.64 154.68 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 2.43 110.507 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -165.11 118.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 3.95 110.958 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -55.54 133.4 50.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 2.19 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.2 t -82.1 -14.76 55.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.77 111.434 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 7.6 mtpm? -59.42 -24.83 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 3.65 111.176 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -81.04 -26.78 36.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 4.38 111.246 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.97 -44.78 3.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.643 -0.789 . . . . 2.22 112.614 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -140.05 149.63 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 3.07 110.866 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -63.5 -19.35 64.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 3.08 111.038 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.75 -43.44 96.24 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.592 -0.813 . . . . 2.36 112.402 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.19 -19.82 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 3.63 110.743 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.31 -51.51 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 1.73 110.603 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.31 -7.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 2.3 111.498 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.19 -15.72 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 3.84 110.695 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.676 HE21 ' HB2' ' A' ' 138' ' ' ASP . 20.6 pt20 -140.27 156.03 70.05 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 3.22 110.713 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.18 -16.95 57.69 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.79 2.327 . . . . 2.44 112.867 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.676 ' HB2' HE21 ' A' ' 136' ' ' GLN . 9.1 m-20 -95.29 10.85 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.704 0.288 . . . . 2.64 111.073 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.01 -76.04 0.2 Allowed Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.949 -0.643 . . . . 1.49 112.723 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -128.1 155.82 43.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.69 0.281 . . . . 1.76 110.873 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.54 156.14 34.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.98 111.509 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.3 t -127.32 107.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.258 -0.428 . . . . 1.3 110.979 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.586 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 10.4 mp -86.13 144.27 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 2.1 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -129.2 123.5 4.22 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.694 -0.765 . . . . 1.4 112.843 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.2 mt -110.86 136.15 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.694 0.283 . . . . 1.53 110.735 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.623 ' H ' ' HG2' ' A' ' 214' ' ' PRO . 40.8 t80 -76.4 145.09 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.431 -0.35 . . . . 4.48 110.986 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 118' ' ' LEU . 89.0 mt -132.82 124.16 27.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 3.25 110.891 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' ' 215' ' ' ILE . 28.1 ttpp -146.43 144.47 29.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.36 -0.382 . . . . 4.32 110.786 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.61 121.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 3.13 111.187 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.83 -94.62 0.48 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.81 -0.71 . . . . 3.15 112.403 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 81.4 p -93.02 171.54 8.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 3.85 110.892 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -70.48 -164.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 3.82 111.198 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -72.73 113.12 18.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 5.19 111.066 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.25 -17.18 17.09 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.29 1.993 . . . . 3.09 112.083 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.93 59.07 0.01 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.829 -0.701 . . . . 2.71 112.726 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.86 34.43 5.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 3.94 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 160' ' ' VAL . 45.9 mt-30 -55.78 -36.71 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 3.55 111.065 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 158' ' ' LYS . 1.0 OUTLIER -68.45 -24.31 64.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 4.82 111.074 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.8 -36.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 3.12 111.307 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.506 ' HA ' HD22 ' A' ' 163' ' ' LEU . 28.3 m -80.89 -18.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.14 111.05 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.38 -37.24 20.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 3.01 111.071 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.81 -44.05 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 2.46 111.907 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 228' ' ' LEU . 0.2 OUTLIER -75.17 -21.06 59.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.31 110.763 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.456 ' N ' HD23 ' A' ' 163' ' ' LEU . 13.9 t70 -58.81 -17.61 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.919 -0.582 . . . . 2.42 109.867 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 56.3 m -94.13 -29.71 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 1.85 110.895 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.586 HG12 ' HA ' ' A' ' 163' ' ' LEU . 0.3 OUTLIER -91.63 50.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 2.44 110.816 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -52.73 -40.28 62.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.044 -0.525 . . . . 3.75 110.599 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 68.9 p -114.98 137.71 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.675 -0.693 . . . . 2.36 110.66 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 63' ' ' GLY . 1.2 mptm? -60.48 147.77 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 3.46 111.094 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.3 -6.8 26.76 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.668 -0.696 . . . . 2.2 112.134 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.475 ' HB2' HG23 ' A' ' 166' ' ' ILE . 99.7 mttt -109.19 177.14 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 3.33 110.93 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.512 ' HB3' HD12 ' A' ' 60' ' ' LEU . 67.7 p -151.32 168.71 23.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 2.27 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -161.39 142.73 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.89 110.819 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -88.56 136.39 33.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.358 -0.383 . . . . 3.74 111.219 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -149.31 142.21 24.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.078 -0.51 . . . . 4.47 110.45 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 10.1 t -129.41 176.69 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.36 -0.382 . . . . 4.59 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 60.37 56.79 3.07 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.929 0.395 . . . . 6.35 110.869 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . 0.578 ' H ' HG23 ' A' ' 55' ' ' THR . 73.4 t80 -81.84 147.48 29.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 4.67 110.836 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.76 113.67 23.48 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 3.92 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -77.08 -21.22 12.31 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.337 2.025 . . . . 4.59 112.207 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 184' ' ' LEU . 74.7 mtp180 -71.77 -11.23 60.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.652 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -58.81 -29.33 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 3.43 112.261 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.2 pp -117.07 12.08 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 5.71 111.128 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 181' ' ' ARG . 41.6 tp -57.82 119.23 32.03 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.224 -0.444 . . . . 4.53 111.02 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.52 ' HD2' HD12 ' A' ' 184' ' ' LEU . 48.6 Cg_endo -68.88 131.14 21.83 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.187 1.925 . . . . 3.71 111.964 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.5 -24.13 39.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 6.38 111.291 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 46.7 t -142.49 166.93 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.352 . . . . 5.07 111.019 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 93.1 mt -107.64 31.52 5.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.32 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.531 ' HB2' ' HD2' ' A' ' 212' ' ' LYS . 5.3 m-20 -136.13 147.76 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 3.78 110.242 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -170.0 171.66 6.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 3.36 111.225 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.458 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 1.8 m-90 -107.41 174.42 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 4.16 109.969 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.9 t -151.62 137.03 17.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.13 0.419 . . . . 1.5 112.13 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -132.4 78.64 67.47 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 2.91 110.306 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.52 130.08 34.86 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.794 2.329 . . . . 1.48 112.731 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 204' ' ' GLU . . . -127.31 -172.72 13.31 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.899 -0.667 . . . . 1.64 112.334 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 12.4 m -129.34 -175.29 3.53 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.532 0.206 . . . . 2.75 110.838 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.62 160.92 3.96 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.871 0.367 . . . . 5.98 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 6.0 t -70.6 -5.36 28.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.107 -0.497 . . . . 5.3 110.926 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.595 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 27.3 p -103.77 168.94 7.93 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 4.96 110.069 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 71.6 Cg_exo -40.64 162.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.28 1.986 . . . . 5.64 112.361 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -32.32 96.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.246 2.63 . . . . 6.0 113.207 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 202' ' ' LEU . 0.2 OUTLIER -109.7 -61.68 1.61 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.056 -0.52 . . . . 5.41 111.004 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 204' ' ' GLU . 0.8 OUTLIER -176.41 137.97 0.3 Allowed 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.895 0.379 . . . . 5.02 111.079 -179.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.429 ' N ' HD23 ' A' ' 203' ' ' LEU . 11.6 pt-20 -84.01 30.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.213 0.53 . . . . 3.98 109.922 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 49.6 t -57.22 -17.66 12.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 2.48 111.555 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.48 136.04 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 1.8 111.412 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 54.9 m -113.16 146.17 39.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.284 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -113.71 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 2.43 110.706 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.586 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 4.4 mp -114.22 135.71 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 1.45 110.729 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 84.9 t -137.99 117.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 2.12 111.036 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.5 ' HB2' ' HG3' ' A' ' 214' ' ' PRO . 7.8 mp -62.78 171.42 2.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.244 -0.434 . . . . 3.85 110.744 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 61.8 mtpt -58.64 -55.59 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 5.85 111.194 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -165.85 70.9 1.26 Allowed Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.294 -0.412 . . . . 5.91 111.307 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . 0.623 ' HG2' ' H ' ' A' ' 146' ' ' PHE . 90.0 Cg_endo -83.07 152.29 14.22 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.713 2.275 . . . . 3.58 112.481 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.427 HD12 ' HE3' ' A' ' 148' ' ' LYS . 6.0 tt -162.85 111.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 4.42 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 41.4 m -137.55 102.22 4.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.349 -0.387 . . . . 3.53 111.081 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 85.1 t -148.71 137.67 15.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.342 -0.39 . . . . 2.45 110.877 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 222' ' ' VAL . 35.9 m -115.49 151.09 35.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 3.39 110.697 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 53.6 m -72.77 -13.45 61.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 2.82 111.095 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -83.2 -45.01 14.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 4.51 111.276 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -66.04 -25.33 67.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 3.92 110.498 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 218' ' ' SER . 77.3 t -83.22 -30.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 2.44 110.72 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.59 -43.56 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 2.8 110.454 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.06 -17.29 37.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 3.78 110.743 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.11 -35.69 79.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 3.33 110.542 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.09 -30.44 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.701 -0.681 . . . . 4.82 110.795 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -70.39 -23.83 62.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.571 . . . . 3.25 111.035 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 163' ' ' LEU . 91.4 mt -81.7 162.16 23.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 2.93 111.316 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -130.32 158.49 39.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.966 -0.561 . . . . 2.92 110.962 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -54.32 -47.4 72.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 5.3 110.652 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -119.55 145.49 46.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 4.3 110.81 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -71.14 -166.25 6.91 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.797 -0.716 . . . . 4.09 112.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 157.43 2.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.11 0.481 . . . . 7.57 111.768 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 103.83 -11.74 53.02 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.704 -0.68 . . . . 6.31 112.366 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -142.41 154.34 63.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.327 0.108 . . . . 5.7 110.731 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.84 162.53 3.68 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.607 2.204 . . . . 6.54 112.396 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.66 136.44 56.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 6.78 111.002 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -140.93 155.81 46.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 5.03 111.028 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 241' ' ' VAL . 75.0 mt -95.89 134.4 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 5.11 110.741 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.95 -12.64 56.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 5.21 111.04 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 239' ' ' LEU . 34.1 m -86.05 -171.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 3.44 111.086 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 18.4 t70 71.61 44.48 0.51 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.141 0.496 . . . . 3.67 110.365 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -134.52 55.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 3.74 111.098 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -101.97 172.91 6.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 3.25 111.144 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.446 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 98.0 mtt180 -133.23 107.42 12.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 3.78 110.73 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.84 147.78 13.7 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.647 2.232 . . . . 2.43 112.774 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -130.46 136.07 48.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.984 -0.553 . . . . 3.18 110.997 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -137.79 133.6 17.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 5.35 110.819 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 31' ' ' VAL . 83.9 Cg_endo -81.48 124.89 4.85 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.514 2.143 . . . . 4.02 112.634 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.2 mm? -78.61 -48.89 14.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 3.94 110.455 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -143.36 -64.38 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.566 . . . . 6.83 110.538 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -175.64 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 5.02 110.255 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 62.55 149.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 5.82 111.71 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -102.15 135.31 43.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 3.22 110.548 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 33' ' ' ILE . 6.5 tt -112.04 116.01 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 2.02 111.702 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -68.16 163.48 22.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.325 -0.62 . . . . 2.91 109.325 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.498 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.55 146.25 8.33 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.472 -0.491 . . . . 1.46 112.164 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 40.2 t -74.52 -19.11 60.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.566 -0.743 . . . . 2.32 109.246 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 189' ' ' ASP . 90.6 t80 -111.73 141.0 45.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.205 -0.907 . . . . 3.3 110.134 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 93.9 mttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.184 -0.912 . . . . 4.59 111.124 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.434 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.85 0.357 . . . . 32.91 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -149.34 154.72 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 30.03 111.044 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -128.45 134.82 48.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 29.61 110.665 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t60 55.86 86.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 26.81 110.958 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -132.09 151.58 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 25.62 110.664 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.88 53.81 0.2 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.875 -0.678 . . . . 23.39 112.473 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -77.39 169.91 17.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.741 0.305 . . . . 23.38 110.809 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.83 31.93 8.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.844 -0.693 . . . . 19.99 112.4 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -75.36 -19.51 59.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 19.34 111.035 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -69.63 -30.09 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 18.14 110.954 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -85.81 25.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 18.74 110.94 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.05 69.36 0.06 OUTLIER Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.919 -0.658 . . . . 16.42 112.446 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.69 80.05 2.89 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.579 2.186 . . . . 15.7 112.32 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -125.44 42.61 3.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 15.32 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -89.06 109.54 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 15.63 110.922 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -82.81 -22.83 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 11.72 110.992 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 3.3 p-80 -77.19 -7.5 55.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.413 -0.358 . . . . 12.77 111.236 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -80.57 -19.84 44.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 15.94 111.081 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.32 -60.4 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 12.96 110.991 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -102.74 149.94 37.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 10.55 110.874 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HA ' ' HB3' ' A' ' 24' ' ' LYS . 90.8 Cg_endo -82.91 22.51 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.688 2.259 . . . . 9.69 112.732 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.37 -56.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 8.17 110.708 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 201' ' ' PRO . . . -87.89 -24.3 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.732 -0.667 . . . . 9.4 110.745 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 27.4 tptp -70.67 -17.19 62.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 13.28 110.584 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -124.48 113.91 2.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.852 -0.69 . . . . 8.88 112.442 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -111.55 120.72 43.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.819 0.342 . . . . 8.92 110.943 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -142.25 28.29 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.258 0.552 . . . . 9.6 110.354 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -57.58 129.59 42.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.66 . . . . 6.33 111.211 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -166.41 77.14 1.13 Allowed Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 3.57 110.897 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.7 127.79 16.0 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.561 2.174 . . . . 2.88 112.452 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -144.34 145.88 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 2.26 111.354 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' N ' ' HB1' ' A' ' 247' ' ' ALA . 27.1 m-20 -61.7 115.04 3.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.066 -0.515 . . . . 2.44 110.66 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' A' ' 109' ' ' VAL . 6.9 mm -50.13 128.73 7.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 1.53 111.382 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -112.57 128.25 56.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.51 111.156 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.6 m -80.31 -40.5 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.626 . . . . 1.95 110.922 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.48 -35.23 80.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 3.43 111.016 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 m -75.54 -22.7 56.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 1.73 110.814 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.59 155.83 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 1.29 111.034 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -123.9 142.34 51.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 3.53 111.084 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -66.5 133.6 50.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 4.17 110.818 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 258' ' ' SER . 16.7 t70 -125.68 90.98 49.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.37 -0.377 . . . . 3.04 111.113 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.24 20.86 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.668 2.246 . . . . 2.3 112.443 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.6 m -62.18 -45.7 92.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 3.07 111.073 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.565 HD12 ' HA3' ' A' ' 82' ' ' GLY . 3.2 mm? -80.34 151.94 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 3.08 110.847 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -108.28 141.43 23.2 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.345 -0.389 . . . . 4.28 110.839 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.67 125.62 18.84 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.27 1.98 . . . . 2.41 111.853 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.537 ' HB2' ' HA2' ' A' ' 81' ' ' GLY . 5.5 tp -130.87 -168.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 5.24 111.056 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.548 ' HB2' ' HD2' ' A' ' 80' ' ' LYS . 56.8 m -64.5 151.7 43.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 2.67 111.494 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.98 116.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 2.44 111.182 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m -113.7 146.01 40.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 2.58 110.813 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -174.32 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 4.87 111.194 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -64.35 -15.96 61.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 4.17 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -95.89 -10.9 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 4.62 111.06 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -54.64 126.31 23.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.313 -0.403 . . . . 1.97 111.521 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 m -112.63 139.35 48.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.9 111.163 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -95.94 162.46 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 1.87 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.2 tp -111.86 -38.83 4.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 3.58 111.428 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -172.98 156.64 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 4.62 110.904 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.582 HG12 HG13 ' A' ' 68' ' ' VAL . 71.5 mt -132.66 112.01 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 1.72 110.665 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 tp -112.91 140.56 47.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 2.58 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 2.4 m-20 -112.46 149.03 33.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.896 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -106.62 21.65 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 3.13 110.635 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.82 -25.6 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.835 -0.697 . . . . 2.64 112.401 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -112.79 -57.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 4.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.14 153.55 49.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 2.12 110.77 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' HB3' ' HA ' ' A' ' 61' ' ' ASN . 47.6 p90 -137.28 164.11 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 3.39 111.398 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -133.06 152.57 51.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.809 -0.632 . . . . 2.57 110.742 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.582 HG13 HG12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -108.08 107.12 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 1.95 110.866 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.38 140.79 29.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 3.84 111.403 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -116.63 177.37 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 4.12 110.404 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -53.38 134.98 39.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 3.04 110.827 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -101.33 -24.43 14.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.209 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.3 t -70.07 -15.7 63.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 3.2 111.038 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -157.12 145.99 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 4.06 111.013 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -86.35 94.31 9.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.84 110.653 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 44.4 mmtm -58.22 -62.46 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.58 . . . . 3.26 111.347 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 90' ' ' LEU . . . -90.78 142.7 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 1.42 111.307 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 50' ' ' SER . 18.4 m -143.67 159.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.827 -0.624 . . . . 1.72 110.855 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 94.3 mt -131.69 117.89 19.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.408 -0.36 . . . . 2.3 111.105 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 90.8 mttt -131.49 153.6 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 2.67 110.519 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.537 ' HA2' ' HB2' ' A' ' 47' ' ' LEU . . . 160.89 112.18 0.29 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.644 -0.788 . . . . 2.5 112.401 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.565 ' HA3' HD12 ' A' ' 44' ' ' LEU . . . 122.44 175.72 14.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.636 -0.792 . . . . 2.63 112.462 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.77 -6.34 18.48 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.4 2.067 . . . . 4.13 112.014 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -60.28 156.56 15.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.873 -0.603 . . . . 3.0 111.099 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.7 22.51 15.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 5.04 110.605 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.78 149.72 17.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.909 -0.662 . . . . 1.92 112.503 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.415 ' OG1' ' HE2' ' A' ' 80' ' ' LYS . 97.9 m -126.15 133.15 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 1.68 111.285 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.465 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 84.2 m-85 -87.05 125.56 34.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 3.43 110.502 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -102.5 147.64 26.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 3.79 111.234 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.3 mp -97.95 139.08 34.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.005 -0.543 . . . . 2.52 110.682 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -118.28 -59.05 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 2.47 111.762 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' H ' HG12 ' A' ' 91' ' ' ILE . 23.1 pt20 -159.35 160.0 34.52 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.871 0.322 . . . . 2.41 111.871 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 30.7 p90 -137.19 160.01 40.24 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.122 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.44 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 13.2 p-80 -132.42 167.9 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.953 0.406 . . . . 1.29 111.723 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -117.85 145.56 44.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 3.19 110.379 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.44 ' HD1' ' CG ' ' A' ' 243' ' ' ASN . 14.1 m-70 -96.83 129.4 44.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 1.68 111.243 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -134.08 -177.2 4.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.87 -0.605 . . . . 5.75 110.453 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.17 162.02 29.91 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.616 -0.802 . . . . 3.04 112.614 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.1 t -107.79 8.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 4.29 110.771 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' HB2' ' CG ' ' A' ' 242' ' ' ASP . 11.3 mt -113.93 159.92 19.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.934 -0.575 . . . . 5.2 110.452 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -109.76 105.98 15.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 5.33 111.088 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.12 -69.88 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.894 -0.669 . . . . 4.18 112.056 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.48 HE21 ' HB2' ' A' ' 244' ' ' TRP . 25.4 mt-30 -147.91 174.77 11.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 4.67 110.901 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.33 -78.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.773 . . . . 1.95 112.26 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.0 p -106.92 -170.16 1.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.288 . . . . 2.04 110.964 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 244' ' ' TRP . 35.7 tt0 -86.63 -73.2 0.47 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 2.64 110.752 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -94.89 168.16 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.11 110.366 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 113' ' ' LYS . 77.3 p -135.7 123.94 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.415 -0.357 . . . . 1.88 111.596 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.452 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 30.9 m -96.99 141.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 2.24 110.523 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 54.91 34.87 23.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.397 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 60.29 25.25 14.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.574 . . . . 3.37 111.397 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -116.56 129.66 56.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 3.86 110.935 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 108' ' ' THR . 39.0 ttmt -97.6 155.5 16.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 2.57 111.075 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.467 ' CD1' ' HB2' ' A' ' 148' ' ' LYS . 31.4 m-85 -118.64 173.91 6.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 2.18 110.735 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.94 -47.13 9.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.72 111.289 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.97 171.46 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 1.55 110.41 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.85 131.12 12.01 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 2.4 112.086 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 145' ' ' ILE . 3.9 pp -90.83 148.05 22.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.144 -0.48 . . . . 2.07 109.951 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.44 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -110.7 106.85 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 1.71 111.675 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 143' ' ' LEU . 50.1 tp -89.67 107.99 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 2.51 110.337 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.34 113.09 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.386 . . . . 1.83 111.563 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.517 ' HE2' ' HB2' ' A' ' 143' ' ' LEU . 34.8 p80 -131.88 155.02 48.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 2.43 110.172 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -162.32 141.48 9.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 3.95 111.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LYS . 50.0 t30 -61.34 121.46 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.701 -0.681 . . . . 2.19 110.896 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -80.01 -14.84 58.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.061 -0.518 . . . . 1.77 111.457 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 124' ' ' ASN . 74.9 mmtt -59.16 -18.89 40.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 3.65 110.783 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 64.4 m-85 -79.21 7.5 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 4.38 110.948 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.35 -72.74 1.65 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.844 -0.693 . . . . 2.22 112.529 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -136.33 171.89 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 3.07 110.874 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -59.95 -22.77 62.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 3.08 110.991 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.46 -53.8 39.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.853 -0.689 . . . . 2.36 112.672 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 127' ' ' TYR . 23.8 tptm -73.36 -20.66 60.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.63 110.808 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.89 -48.12 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 1.73 111.571 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.462 HG23 HE21 ' A' ' 135' ' ' GLN . 28.0 m -66.64 -2.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.364 -0.38 . . . . 2.3 111.713 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.462 HE21 HG23 ' A' ' 134' ' ' VAL . 29.0 mm-40 -72.48 -15.14 61.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.74 0.305 . . . . 3.84 111.043 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.89 144.5 53.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 3.22 110.646 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.91 -11.15 30.07 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 2.44 111.95 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -111.85 -4.82 14.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 2.64 111.012 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -53.44 -54.79 28.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.796 -0.716 . . . . 1.49 112.422 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.02 132.54 54.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 1.76 110.392 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 144.31 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.98 111.108 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.79 108.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 1.3 111.043 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 9.6 tt -88.13 117.63 27.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 2.1 110.881 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 127.46 8.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.858 -0.686 . . . . 1.4 112.39 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.528 HD12 HD11 ' A' ' 118' ' ' LEU . 62.5 mt -107.02 132.42 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 1.53 110.947 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -85.79 165.69 16.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 4.48 110.867 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.9 mt -140.07 121.08 14.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.983 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 114' ' ' TYR . 88.1 tttt -127.93 153.76 46.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.347 -0.388 . . . . 4.32 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -87.63 152.3 3.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 3.13 110.629 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 218' ' ' SER . . . 144.88 -179.4 22.05 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.662 -0.78 . . . . 3.15 112.141 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 m 58.44 84.88 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.819 0.343 . . . . 3.85 110.334 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.64 . . . . 3.82 111.942 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.43 117.53 21.0 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.752 -0.658 . . . . 5.19 111.264 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.22 -18.18 14.41 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.383 2.055 . . . . 3.09 112.117 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.13 59.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.911 -0.662 . . . . 2.71 112.488 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 159' ' ' VAL . 95.4 mt -135.63 35.53 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 3.94 110.761 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -53.56 -61.86 2.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.839 -0.619 . . . . 3.55 111.326 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.42 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.619 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.454 HG21 HD22 ' A' ' 156' ' ' LEU . 85.7 t -55.72 -45.72 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.379 . . . . 3.12 111.391 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.426 ' O ' HD22 ' A' ' 163' ' ' LEU . 16.5 m -85.12 -14.64 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 3.14 111.264 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.8 -19.15 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 3.01 111.005 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.97 -17.34 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 2.46 111.814 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 160' ' ' VAL . 1.8 pt? -58.35 -22.3 52.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.741 0.305 . . . . 2.31 111.414 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -55.78 -12.55 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 2.42 110.797 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -12.13 35.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.522 . . . . 1.85 110.875 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 166' ' ' ILE . 2.2 mp -127.62 50.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 2.44 110.609 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 167' ' ' LYS . 6.9 ttpm? -53.34 -47.74 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 3.75 111.121 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 41.1 p -84.78 160.57 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.966 0.413 . . . . 2.36 111.022 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 231' ' ' ASN . 1.5 tmmt? -80.43 107.56 13.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 3.46 110.863 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.52 8.97 24.14 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.594 -0.812 . . . . 2.2 113.31 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.401 ' HB3' HG23 ' A' ' 166' ' ' ILE . 23.7 ttmm -84.48 156.54 21.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.883 0.342 . . . . 3.33 110.765 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 94.3 p -97.69 165.95 11.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 2.27 110.804 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.66 37.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 1.89 111.254 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -81.89 157.74 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.968 -0.56 . . . . 3.74 110.865 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -48.34 135.71 13.37 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.045 -0.525 . . . . 4.47 111.175 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 13.3 t -162.61 -172.4 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 4.59 110.824 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 57.33 49.41 13.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.972 0.415 . . . . 6.35 110.705 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -92.0 136.92 32.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 4.67 110.945 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.14 90.92 25.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 3.92 111.023 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.19 -47.48 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.361 2.041 . . . . 4.59 112.252 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.99 -18.09 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 8.64 110.698 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -78.97 26.35 2.45 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 3.43 112.475 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.98 9.33 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 5.71 111.032 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.2 127.23 90.7 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 4.53 110.757 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.95 131.78 46.29 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.382 2.055 . . . . 3.71 112.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.61 -16.34 54.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 6.38 111.178 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 37.6 t 60.71 175.24 0.1 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.203 -0.453 . . . . 5.07 110.962 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.14 110.07 22.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.472 -0.331 . . . . 4.32 110.658 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.9 p30 176.89 118.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.905 -0.589 . . . . 3.78 110.264 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 210' ' ' VAL . 45.4 p90 -169.86 161.8 9.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.756 0.313 . . . . 3.36 110.813 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.749 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 5.5 m-90 -105.37 122.53 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.405 . . . . 4.16 110.112 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.458 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 5.9 t -127.54 171.24 11.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 1.5 111.599 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -159.35 130.21 3.73 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 2.91 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.558 ' HA ' HG23 ' A' ' 207' ' ' THR . 73.9 Cg_exo -50.45 127.73 21.27 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.47 2.113 . . . . 1.48 112.491 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.465 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -116.19 37.96 3.22 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.742 -0.742 . . . . 1.64 112.964 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 197' ' ' LEU . 24.0 m -113.63 168.87 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.553 -0.166 . . . . 2.75 110.553 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 196' ' ' SER . 50.9 mt 75.02 -53.61 0.67 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.658 0.598 . . . . 5.98 111.214 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 16.3 m -62.57 -12.51 23.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.461 . . . . 5.3 110.605 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 8.3 t -89.53 146.6 36.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 4.96 111.26 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -43.22 156.97 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.884 2.39 . . . . 5.64 112.731 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 36.0 Cg_exo -59.42 85.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.665 2.244 . . . . 6.0 112.621 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.83 -51.39 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 5.41 110.779 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 203' ' ' LEU . 2.3 pt? -168.31 164.88 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 5.02 111.183 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -124.93 20.96 8.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 3.98 110.36 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 80.0 m -100.55 29.39 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 2.48 110.58 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.1 t -117.74 112.46 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.783 -0.644 . . . . 1.8 110.88 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.6 m -112.49 145.33 40.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.45 -0.341 . . . . 1.27 110.796 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -95.74 108.35 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 2.43 110.702 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.63 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.9 mp -108.77 142.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.45 110.944 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 190' ' ' TYR . 26.2 t -138.03 116.86 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 2.12 111.116 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.86 155.7 15.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.382 -0.372 . . . . 3.85 110.71 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.35 -48.06 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 5.85 110.677 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.99 88.76 8.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 5.91 110.814 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.92 153.93 71.79 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.516 2.144 . . . . 3.58 112.515 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.07 142.56 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 4.42 110.728 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.2 m -136.75 155.3 50.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 3.53 111.519 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.36 169.39 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.818 -0.628 . . . . 2.45 110.771 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 46.9 t -107.09 154.14 21.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.5 -0.318 . . . . 3.39 110.854 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 54.2 m -55.61 -22.0 20.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 2.82 110.818 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -85.5 -32.81 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 4.51 110.604 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -67.55 -32.43 73.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 3.92 110.419 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.93 -26.75 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.614 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.596 HD12 ' HD3' ' A' ' 226' ' ' ARG . 48.0 tp -56.28 -34.46 66.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.535 . . . . 2.8 110.477 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.87 -28.92 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 3.78 110.381 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -71.58 -25.9 62.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 3.33 110.707 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.596 ' HD3' HD12 ' A' ' 223' ' ' LEU . 42.6 mtp180 -60.35 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 4.82 110.486 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.69 -26.15 62.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 3.25 110.409 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.84 162.19 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.591 . . . . 2.93 110.789 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -131.9 156.94 45.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 2.92 111.204 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.418 ' HB2' ' HG2' ' A' ' 240' ' ' MET . 41.1 t80 -97.93 3.36 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.76 -0.655 . . . . 5.3 110.598 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.55 ' HA ' ' HE2' ' A' ' 169' ' ' LYS . 8.5 p30 -140.69 12.88 2.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 4.3 111.373 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 108.83 149.64 13.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 4.09 112.541 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -65.24 156.16 32.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.377 . . . . 7.57 110.984 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.31 44.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.878 -0.677 . . . . 6.31 112.671 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -138.72 102.09 7.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 110.689 -0.115 . . . . 5.7 110.689 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.47 164.48 16.61 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.43 2.086 . . . . 6.54 112.647 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 58.73 93.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.035 -0.53 . . . . 6.78 110.898 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . 0.441 ' HG2' ' ND2' ' A' ' 231' ' ' ASN . 9.3 tp10 -158.47 116.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 5.03 110.676 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.79 147.02 24.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.445 . . . . 5.11 110.524 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.418 ' HG2' ' HB2' ' A' ' 230' ' ' PHE . 54.7 mtt -127.67 42.18 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 5.21 111.232 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 6.6 p -176.17 136.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.094 0.474 . . . . 3.44 111.641 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 100' ' ' LEU . 26.9 t70 -161.16 26.67 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.738 -0.665 . . . . 3.67 110.67 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.44 ' CG ' ' HD1' ' A' ' 96' ' ' HIS . 53.5 m-80 -96.59 56.45 1.52 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 3.74 111.258 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 106' ' ' GLU . 65.6 p-90 -101.73 155.74 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.91 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -140.8 151.69 63.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 3.78 110.902 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.1 162.33 16.94 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.413 2.075 . . . . 2.43 111.802 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . 0.455 ' HB1' ' N ' ' A' ' 32' ' ' ASP . . . -163.05 41.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 3.18 111.118 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.82 133.16 93.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.98 -0.554 . . . . 5.35 110.99 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -78.12 123.93 6.4 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.359 2.039 . . . . 4.02 112.39 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 250' ' ' LEU . 3.3 mm? -80.0 -48.83 12.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 3.94 110.788 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -138.95 -63.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 6.83 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -171.13 -54.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 5.02 110.885 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 63.15 168.35 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 5.82 111.108 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -124.08 124.28 42.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 3.22 111.284 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 27.2 mm -84.09 106.87 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 2.02 111.176 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 192' ' ' THR . 57.9 tptt -77.13 92.23 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 2.91 110.191 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.81 166.77 10.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.46 111.507 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 41' ' ' ASP . 48.0 t -90.23 -27.12 19.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.872 -0.604 . . . . 2.32 110.482 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -111.96 158.34 19.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.865 -0.607 . . . . 3.3 110.544 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.164 -0.922 . . . . 4.59 111.232 -179.797 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.482 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.821 0.343 . . . . 32.91 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m 56.58 47.78 17.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.975 -0.557 . . . . 30.03 111.176 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -64.91 143.9 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 29.61 110.766 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -111.09 -6.89 14.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 26.81 111.028 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -94.34 140.47 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 25.62 110.861 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.32 153.85 9.61 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.8 -0.714 . . . . 23.39 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.583 ' H ' HD21 ' A' ' 11' ' ' ASN . 73.3 t80 -128.97 -58.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.798 0.333 . . . . 23.38 110.662 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.1 -64.06 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 19.99 112.459 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -81.92 -12.19 58.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 19.34 110.527 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -91.61 -0.83 57.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.936 -0.575 . . . . 18.14 110.911 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.583 HD21 ' H ' ' A' ' 7' ' ' TYR . 39.4 m-80 -108.3 -0.74 20.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.446 . . . . 18.74 110.887 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 80.77 1.55 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.817 -0.706 . . . . 16.42 112.735 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.36 152.5 71.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.517 2.145 . . . . 15.7 112.071 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -130.24 -76.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 15.32 111.087 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -147.79 46.3 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 15.63 111.067 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -61.16 -25.34 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 11.72 110.851 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' HB2' ' HG2' ' A' ' 24' ' ' LYS . 23.8 p80 -71.78 -26.74 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 12.77 111.075 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -75.03 -17.86 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 15.94 111.117 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -88.32 -51.45 5.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.323 -0.398 . . . . 12.96 111.009 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.59 151.36 77.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 10.55 110.934 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -80.43 27.86 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.559 2.172 . . . . 9.69 112.163 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' A' ' 204' ' ' GLU . 39.1 mt -80.26 -37.95 17.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 8.17 110.539 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.86 -28.24 24.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.836 -0.62 . . . . 9.4 110.697 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 17' ' ' HIS . 32.0 mmmt -70.65 -15.61 62.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 13.28 110.653 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.73 156.25 15.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.755 -0.736 . . . . 8.88 112.702 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -138.87 72.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.057 0.456 . . . . 8.92 110.588 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -127.87 23.01 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 9.6 110.779 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.59 -43.82 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 6.33 111.173 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.92 157.0 63.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 3.57 111.087 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.7 133.35 32.66 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.813 2.342 . . . . 2.88 112.141 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 250' ' ' LEU . 90.6 t -121.92 154.36 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.073 -0.512 . . . . 2.26 110.773 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -88.4 98.54 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 2.44 110.116 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 HG13 ' A' ' 255' ' ' ILE . 3.0 mp -78.6 136.49 23.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 1.53 111.146 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.604 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -110.55 129.21 55.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 1.51 110.889 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.4 m -80.28 -18.51 49.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 1.95 111.212 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -81.76 -38.68 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 3.43 111.674 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 34' ' ' ASP . 6.2 t -84.84 -17.22 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.703 0.287 . . . . 1.73 111.521 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 155.83 12.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.308 -0.405 . . . . 1.29 111.226 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -124.13 132.87 53.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 3.53 110.69 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' HB3' ' N ' ' A' ' 260' ' ' LYS . 47.6 p90 -73.87 134.87 43.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 4.17 110.987 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.42 90.94 42.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 3.04 110.685 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.17 52.11 3.55 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.643 2.229 . . . . 2.3 112.69 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.7 m -68.97 -45.0 71.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 3.07 110.816 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.29 142.04 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 3.08 110.922 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -108.44 151.5 41.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 4.28 110.974 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HG3' HD11 ' A' ' 188' ' ' LEU . 35.5 Cg_endo -65.21 125.9 15.4 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.182 1.921 . . . . 2.41 111.359 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.11 -64.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 5.24 111.638 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -135.36 110.01 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 2.67 111.272 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HD12 ' A' ' 79' ' ' LEU . 49.1 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 2.44 110.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.9 m -110.91 143.68 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 2.58 110.801 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -173.23 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 4.87 110.68 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -63.98 -20.56 65.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 4.17 109.803 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -98.06 -13.61 20.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.649 -0.705 . . . . 4.62 110.296 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.39 161.38 7.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 1.97 111.13 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 m -128.14 136.27 50.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 1.9 111.142 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.3 p -87.15 175.44 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.87 110.759 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -111.64 -39.09 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 3.58 110.705 -179.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -174.18 158.02 2.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 4.62 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.3 mt -131.46 103.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 1.72 110.769 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD13 ' OG ' ' A' ' 172' ' ' SER . 44.5 tp -113.76 149.9 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 2.58 110.597 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.548 HD21 HG21 ' A' ' 166' ' ' ILE . 15.4 m-80 -103.7 150.51 23.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 1.94 111.047 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -106.39 21.91 16.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 3.13 111.329 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.35 11.98 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.556 -0.831 . . . . 2.64 112.604 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -177.85 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.577 0.227 . . . . 4.34 111.432 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -106.04 179.23 4.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 2.12 111.197 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB2' ' HD1' ' A' ' 95' ' ' PHE . 62.1 m-85 -120.07 145.95 46.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 3.39 110.491 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.9 104.91 6.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.497 -0.32 . . . . 2.57 110.457 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.14 138.29 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 1.95 111.362 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -125.2 170.34 11.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 3.84 110.967 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -115.14 155.75 26.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 4.12 110.791 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.63 135.36 48.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 3.04 110.753 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.99 16.24 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 3.88 110.923 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.7 t -54.1 -39.35 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.509 . . . . 3.2 110.895 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.409 ' HG3' ' OD1' ' A' ' 75' ' ' ASP . 6.3 tp-100 -166.91 -70.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.299 -0.409 . . . . 4.06 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 74' ' ' GLN . 4.0 p30 -174.77 156.18 2.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 2.84 110.759 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 73.8 mmtt -145.13 -74.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 3.26 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.3 131.52 38.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.42 111.065 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.44 156.11 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 1.72 110.921 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 56.2 tp -128.4 134.17 48.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.342 . . . . 2.3 110.947 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -155.3 143.46 20.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 2.67 110.696 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.96 -176.38 33.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 2.5 112.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.01 -92.36 0.01 OUTLIER Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.811 -0.709 . . . . 2.63 112.744 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -10.22 28.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.403 2.069 . . . . 4.13 112.32 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.65 130.83 44.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.519 . . . . 3.0 110.809 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -111.47 58.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 5.04 110.538 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -154.71 108.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.895 -0.669 . . . . 1.92 112.404 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.1 p -80.95 156.14 26.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 1.68 111.309 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.624 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 89.4 m-85 -125.88 126.68 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 3.43 110.636 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 122' ' ' HIS . 80.5 mtm180 -103.3 129.26 50.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.587 -0.279 . . . . 3.79 110.875 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 mt -82.69 140.44 33.1 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.421 -0.354 . . . . 2.52 110.564 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.565 HG12 ' HA ' ' A' ' 122' ' ' HIS . 3.1 mm -103.82 -69.95 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.275 -0.421 . . . . 2.47 111.919 -179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -159.24 168.39 26.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.712 -0.222 . . . . 2.41 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 47.6 p90 -155.79 155.58 33.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.065 0.459 . . . . 1.57 111.731 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.509 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.4 p-80 -125.86 168.19 14.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.577 -0.738 . . . . 1.29 110.403 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' HD1' ' HB2' ' A' ' 66' ' ' PHE . 86.7 m-85 -114.71 146.56 40.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 3.19 111.974 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.521 ' ND1' ' HB3' ' A' ' 243' ' ' ASN . 15.3 m-70 -105.51 168.26 9.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.875 -0.602 . . . . 1.68 110.215 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.653 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 97.6 m95 -140.23 158.96 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 5.75 111.156 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.54 113.37 0.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.86 -0.609 . . . . 3.04 112.21 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.3 m -85.7 -22.39 27.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.689 0.28 . . . . 4.29 111.326 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.564 ' HG ' ' H ' ' A' ' 102' ' ' GLY . 21.0 tp -88.2 140.38 29.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 5.2 110.981 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.36 1.32 25.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 5.33 110.665 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.564 ' H ' ' HG ' ' A' ' 100' ' ' LEU . . . -117.11 -9.48 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.907 -0.663 . . . . 4.18 112.323 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -138.98 147.63 42.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 4.67 110.781 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.39 -61.86 0.12 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.8 -0.714 . . . . 1.95 112.548 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 63.6 m -109.13 163.67 13.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.599 0.238 . . . . 2.04 110.965 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.99 -77.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.447 -0.342 . . . . 2.64 111.174 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -73.0 166.57 22.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 2.11 111.099 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 113' ' ' LYS . 67.1 p -142.33 108.76 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 1.88 111.09 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.4 HG22 ' HE2' ' A' ' 114' ' ' TYR . 26.8 m -87.53 150.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.833 0.349 . . . . 2.24 110.991 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 t70 53.53 32.25 13.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 2.18 110.776 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 60.56 25.5 15.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.981 -0.554 . . . . 3.37 111.512 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -124.65 138.41 54.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 3.86 111.225 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 108' ' ' THR . 4.3 ttmp? -100.77 154.37 18.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.071 -0.513 . . . . 2.57 110.627 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HE2' HG22 ' A' ' 109' ' ' VAL . 84.5 m-85 -110.02 156.45 20.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.395 . . . . 2.18 111.02 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.06 -21.29 20.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 1.72 111.935 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.01 144.81 28.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 1.55 111.134 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.485 ' H ' ' HB2' ' A' ' 96' ' ' HIS . 32.9 tt0 -152.65 133.32 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 2.4 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 145' ' ' ILE . 4.2 pp -86.96 148.03 25.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.881 0.372 . . . . 2.07 110.907 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.509 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.3 OUTLIER -120.07 99.88 6.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.177 -0.465 . . . . 1.71 111.254 -179.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 143' ' ' LEU . 2.8 tt -99.9 116.88 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 2.51 110.492 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.92 109.89 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 1.83 110.721 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 91' ' ' ILE . 18.8 p80 -126.94 150.89 49.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.38 -0.373 . . . . 2.43 110.886 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -131.85 152.44 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 3.95 110.996 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.476 ' HB3' ' HG2' ' A' ' 126' ' ' LYS . 2.2 m-20 -58.71 149.67 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.004 -0.543 . . . . 2.19 111.135 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.3 t -81.62 -15.03 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.758 -0.655 . . . . 1.77 111.336 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 124' ' ' ASN . 21.4 ptmt -67.41 -36.16 80.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.437 -0.347 . . . . 3.65 111.033 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.4 ' C ' ' H ' ' A' ' 129' ' ' ASP . 61.2 m-85 -79.62 -29.71 41.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.366 -0.379 . . . . 4.38 110.673 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.21 -18.16 1.26 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.962 -0.637 . . . . 2.22 113.366 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 127' ' ' TYR . 13.5 m-20 -142.02 145.31 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 3.07 111.051 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -67.38 -21.89 65.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.815 -0.63 . . . . 3.08 110.825 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.66 -41.49 74.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 2.36 112.138 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -81.39 -17.51 48.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.021 0.438 . . . . 3.63 110.291 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.403 ' O ' ' HA3' ' A' ' 139' ' ' GLY . . . -77.48 -44.95 27.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 1.73 111.049 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -0.75 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 2.3 111.436 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.47 -27.29 62.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.356 -0.384 . . . . 3.84 110.982 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -122.92 151.83 61.78 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 3.22 111.024 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.34 -50.65 9.19 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.381 2.054 . . . . 2.44 111.786 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.64 1.41 34.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 2.64 110.824 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -48.97 -58.46 7.72 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.862 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.21 153.95 51.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 1.76 110.927 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -121.52 165.23 15.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.094 -0.503 . . . . 0.98 110.93 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.42 117.93 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 1.3 111.724 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 209' ' ' ILE . 95.2 mt -86.19 116.92 24.69 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.331 -0.395 . . . . 2.1 110.342 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.96 111.92 1.06 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.487 -0.863 . . . . 1.4 112.769 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.633 HD12 HD21 ' A' ' 118' ' ' LEU . 59.6 mt -92.49 120.82 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.309 . . . . 1.53 110.908 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -73.48 90.74 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 4.48 110.725 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 26.9 mt -71.32 135.67 47.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 3.25 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.56 ' HB3' HD12 ' A' ' 215' ' ' ILE . 27.6 tptp -131.27 146.01 52.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 4.32 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.5 t -81.13 117.85 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 3.13 111.037 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.49 69.68 0.07 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.756 -0.735 . . . . 3.15 112.781 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 217' ' ' VAL . 45.8 t -149.54 155.01 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 3.85 110.959 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.87 166.48 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.535 . . . . 3.82 111.095 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.472 ' HZ3' ' HA ' ' A' ' 157' ' ' GLN . 40.7 ttmt -104.98 136.44 19.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 5.19 110.711 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.43 18.23 0.71 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.408 2.072 . . . . 3.09 112.711 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 83.16 47.51 5.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 2.71 112.787 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.65 24.81 7.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.023 0.439 . . . . 3.94 110.411 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.472 ' HA ' ' HZ3' ' A' ' 153' ' ' LYS . 13.2 pt20 -59.16 -27.57 65.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.728 -0.669 . . . . 3.55 111.34 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -69.49 -33.73 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 4.82 110.896 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.3 -32.61 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 3.12 111.482 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.3 -19.47 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.33 -0.395 . . . . 3.14 111.276 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -58.8 -19.2 38.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 3.01 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 35.0 m -54.89 -17.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 2.46 112.243 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -60.5 -21.14 62.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 2.31 111.127 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -57.33 -14.32 4.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 2.42 110.631 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -86.24 -35.76 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.993 -0.549 . . . . 1.85 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.548 HG21 HD21 ' A' ' 61' ' ' ASN . 3.2 mp -106.13 51.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.976 0.417 . . . . 2.44 110.676 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.434 ' HA ' HD23 ' A' ' 228' ' ' LEU . 98.4 mttt -55.09 -48.4 73.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 3.75 110.577 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 53.3 p -101.23 161.14 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 2.36 110.599 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 169' ' ' LYS . 0.0 OUTLIER -78.82 147.86 33.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 3.46 110.582 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.52 -21.18 19.66 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.684 -0.77 . . . . 2.2 112.638 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.445 ' HB3' HG23 ' A' ' 166' ' ' ILE . 56.1 tptt -88.04 142.08 28.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.707 0.289 . . . . 3.33 110.404 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.422 ' OG ' HD13 ' A' ' 60' ' ' LEU . 1.6 m -96.98 171.27 8.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 2.27 110.779 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -151.94 134.68 15.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 1.89 111.175 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.88 157.86 37.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.026 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -48.12 138.24 9.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.972 -0.558 . . . . 4.47 111.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.1 t -145.65 -172.8 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 4.59 110.827 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 59.69 55.73 3.87 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.884 0.373 . . . . 6.35 111.036 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -96.06 109.54 21.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 4.67 110.812 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -149.9 83.22 6.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 3.92 110.888 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.33 -12.78 37.1 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.47 2.113 . . . . 4.59 112.76 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -71.78 -25.14 61.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 8.64 110.788 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -86.02 37.03 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 3.43 112.419 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 47.9 tp -76.75 -15.4 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 5.71 110.603 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.65 128.94 80.76 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 4.53 110.551 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.32 136.82 10.21 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.4 2.067 . . . . 3.71 112.558 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.5 -12.01 59.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 6.38 110.62 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 78.4 p -155.89 159.18 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 5.07 110.692 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 46' ' ' PRO . 38.9 tp -130.66 100.84 5.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 4.32 111.039 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -174.02 163.42 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 3.78 110.726 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -139.8 179.9 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.332 -0.395 . . . . 3.36 110.763 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.497 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 12.7 t-105 -166.3 132.82 2.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.169 -0.469 . . . . 4.16 110.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.0 t -136.15 145.34 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 1.5 111.679 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 194' ' ' PRO . 80.7 t80 -158.98 88.74 2.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.992 -0.549 . . . . 2.91 110.557 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 193' ' ' TYR . 10.9 Cg_endo -54.23 149.12 37.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.641 2.227 . . . . 1.48 112.44 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -149.71 174.43 29.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.885 -0.674 . . . . 1.64 112.489 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 50.1 m -121.7 168.22 12.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.953 0.406 . . . . 2.75 110.984 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 197' ' ' LEU . 7.0 mp -96.04 174.58 6.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 5.98 110.494 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 63.8 p -74.79 3.54 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 5.3 110.818 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 81.1 p -89.52 162.42 36.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 4.96 110.986 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 2.7 Cg_endo -41.5 151.06 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.819 2.346 . . . . 5.64 112.329 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 20.8 Cg_exo -65.59 79.28 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 6.0 112.713 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.8 tp -174.95 31.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.981 0.419 . . . . 5.41 110.968 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 98.7 mt -149.34 31.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 5.02 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.535 ' HB3' HG12 ' A' ' 22' ' ' ILE . 42.8 tt0 -84.0 86.27 7.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.956 -0.565 . . . . 3.98 110.543 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 86.3 m -135.41 23.03 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 2.48 110.871 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.49 126.2 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.945 -0.571 . . . . 1.8 111.163 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 13.5 m -113.25 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.403 -0.362 . . . . 1.27 110.801 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -98.06 108.12 20.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 2.43 111.095 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.566 ' HB ' HD23 ' A' ' 143' ' ' LEU . 4.1 mm -108.23 157.47 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.847 -0.615 . . . . 1.45 110.887 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 57.0 t -127.0 99.28 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 2.12 110.982 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 145' ' ' ILE . 96.5 mt -63.92 167.98 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 3.85 111.204 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -88.03 -6.69 57.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 5.85 111.036 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.489 ' HB3' HD13 ' A' ' 145' ' ' ILE . 14.7 tp10 -57.55 134.89 82.22 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.265 -0.425 . . . . 5.91 110.866 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . 0.424 ' HD2' ' OE1' ' A' ' 213' ' ' GLU . 14.5 Cg_endo -56.52 150.27 52.7 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.663 2.242 . . . . 3.58 112.624 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 148' ' ' LYS . 28.9 pt -86.23 172.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 4.42 111.272 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 47.6 t -47.75 172.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.072 -0.513 . . . . 3.53 111.847 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' ' HB3' ' A' ' 151' ' ' SER . 26.9 m -98.82 177.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.012 -0.54 . . . . 2.45 111.538 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 42.4 t -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 3.39 111.104 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 79.5 p -67.99 -16.66 64.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 2.82 110.579 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -85.9 -22.13 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 4.51 110.384 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -88.26 -15.43 35.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 3.92 111.298 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.631 ' HB ' ' HB2' ' A' ' 225' ' ' PHE . 34.9 m -89.1 30.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.513 -0.312 . . . . 2.44 111.734 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 56.3 mt -57.22 -43.66 83.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.861 0.362 . . . . 2.8 110.897 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -72.7 -28.06 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 3.78 110.786 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . 0.631 ' HB2' ' HB ' ' A' ' 222' ' ' VAL . 48.3 m-85 -70.47 -17.43 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 3.33 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.464 ' HG2' ' HA3' ' A' ' 234' ' ' GLY . 96.1 mtt180 -65.51 -11.18 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.82 110.975 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -86.54 -3.84 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.908 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 167' ' ' LYS . 97.7 mt -93.44 162.04 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.519 . . . . 2.93 111.335 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.83 -159.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 2.92 110.494 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 239' ' ' LEU . 7.4 m-85 -47.67 -28.63 2.5 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.701 0.26 . . . . 5.3 111.701 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -70.53 7.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.889 0.329 . . . . 4.3 111.889 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -145.88 156.17 26.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.457 -0.878 . . . . 4.09 112.534 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -86.9 152.46 22.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.747 0.308 . . . . 7.57 110.873 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . 0.464 ' HA3' ' HG2' ' A' ' 226' ' ' ARG . . . 93.72 21.51 28.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.712 -0.756 . . . . 6.31 113.2 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.26 101.92 53.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.719 0.259 . . . . 5.7 111.106 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.03 157.25 62.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.437 2.091 . . . . 6.54 112.39 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.92 29.05 13.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 6.78 111.021 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -145.87 118.0 8.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.927 -0.579 . . . . 5.03 111.012 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 230' ' ' PHE . 90.7 mt -69.45 102.04 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 5.11 110.801 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -85.65 -12.63 50.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.926 0.394 . . . . 5.21 110.787 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.9 146.78 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.937 -0.574 . . . . 3.44 111.119 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.58 -40.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 3.67 110.424 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.653 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 10.7 m120 -100.2 55.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 3.74 110.686 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -96.99 144.14 27.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.913 -0.585 . . . . 3.25 111.116 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -141.16 118.36 7.69 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.808 -0.633 . . . . 3.78 110.992 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.44 169.63 18.07 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.29 1.994 . . . . 2.43 112.217 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -146.58 161.9 39.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.392 . . . . 3.18 111.601 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -137.72 143.64 41.24 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.074 -0.512 . . . . 5.35 110.665 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.49 123.74 3.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.533 2.155 . . . . 4.02 112.634 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.502 ' HB2' HG13 ' A' ' 31' ' ' VAL . 48.6 tp -80.27 -43.61 21.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.514 . . . . 3.94 110.973 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm 69.91 9.04 6.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.685 -0.689 . . . . 6.83 110.825 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -139.46 176.58 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 5.02 111.005 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 65.37 145.25 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.034 -0.53 . . . . 5.82 111.653 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -102.97 152.53 21.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.863 -0.608 . . . . 3.22 110.719 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.498 HG13 HG23 ' A' ' 33' ' ' ILE . 2.5 mm -90.73 146.27 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 2.02 111.174 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -125.81 89.34 3.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.66 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -110.14 173.98 6.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 1.46 111.489 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.3 t -78.66 -39.47 36.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 2.32 110.566 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -111.74 138.68 47.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 3.3 110.669 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . 0.413 ' N ' ' HB3' ' A' ' 40' ' ' TYR . 17.3 ptpt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.086 -0.959 . . . . 4.59 111.369 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.388 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ppp? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.896 0.379 . . . . 32.91 111.063 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -129.75 136.55 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 30.03 110.95 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -133.61 -59.71 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 29.61 110.767 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -146.36 129.15 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 26.81 110.79 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -117.5 144.92 44.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 25.62 110.926 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.23 115.28 4.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.836 -0.697 . . . . 23.39 112.536 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -158.3 -55.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 23.38 110.737 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.69 84.88 1.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 19.99 112.365 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -71.19 -29.87 65.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 19.34 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -75.42 0.89 15.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 18.14 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -106.15 -10.67 16.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 18.74 110.702 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.05 155.12 21.87 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.87 -0.681 . . . . 16.42 112.458 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.82 147.47 62.55 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.401 2.067 . . . . 15.7 112.427 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -129.72 -68.39 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 15.32 111.013 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -66.25 96.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 15.63 110.991 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -62.88 -15.74 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.315 -0.402 . . . . 11.72 110.928 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -83.58 -34.93 25.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 12.77 110.664 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -74.92 -19.97 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.997 -0.547 . . . . 15.94 111.01 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.82 -48.13 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 12.96 110.901 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -125.35 118.67 24.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 10.55 110.852 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 24' ' ' LYS . 37.0 Cg_endo -66.69 -5.25 12.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.24 1.96 . . . . 9.69 112.043 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 204' ' ' GLU . 54.9 mt -62.08 -47.43 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 8.17 110.794 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.96 -25.69 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.935 -0.575 . . . . 9.4 110.533 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 60.8 tttp -70.83 -14.23 62.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.569 . . . . 13.28 110.506 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.08 120.55 1.09 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.818 -0.706 . . . . 8.88 112.553 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.69 91.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 8.92 110.812 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -99.49 2.58 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 9.6 110.662 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 198' ' ' THR . 26.5 mp0 -75.74 91.53 2.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 6.33 110.575 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.1 m -158.6 146.17 13.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 3.57 110.958 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.412 ' HG3' ' O ' ' A' ' 246' ' ' PRO . 74.4 Cg_endo -76.01 132.75 14.41 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.472 2.115 . . . . 2.88 112.091 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -113.87 141.27 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 2.26 110.762 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 108' ' ' THR . 6.7 p-10 -92.57 99.04 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 2.44 111.028 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD13 ' A' ' 255' ' ' ILE . 3.9 mp -80.63 127.31 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.068 -0.514 . . . . 1.53 110.758 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' HG22 ' A' ' 37' ' ' THR . 7.0 m-20 -112.15 129.56 56.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.51 111.016 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.0 p -56.75 -26.34 57.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.615 -0.721 . . . . 1.95 111.594 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -73.48 -40.75 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 3.43 110.982 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 34' ' ' ASP . 11.7 t -87.04 -10.1 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 1.73 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 255' ' ' ILE . . . -62.6 157.34 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 1.29 111.048 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -140.69 118.37 11.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 3.53 111.025 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -72.28 136.36 46.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 4.17 110.623 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -115.96 94.33 41.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 3.04 111.167 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.22 27.63 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.448 2.099 . . . . 2.3 112.239 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -79.03 -0.11 29.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 3.07 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 44' ' ' LEU . 2.4 pt? -142.07 139.87 32.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 3.08 110.76 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 24.7 mtpp -91.08 157.01 43.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 4.28 110.621 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 45' ' ' LYS . 11.3 Cg_endo -54.74 157.68 12.16 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.486 2.124 . . . . 2.41 112.333 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.548 ' H ' HD23 ' A' ' 47' ' ' LEU . 2.0 pt? -125.66 134.52 51.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 5.24 111.074 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.3 m -80.54 151.85 28.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.968 -0.56 . . . . 2.67 110.913 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.31 143.44 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 2.44 111.139 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.5 m -113.45 136.34 52.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 2.58 110.949 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -165.59 33.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 4.87 111.304 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -83.81 -23.33 31.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 4.17 110.258 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -95.64 -12.12 26.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.738 -0.664 . . . . 4.62 110.625 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.631 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -48.91 120.52 3.93 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.207 -0.451 . . . . 1.97 111.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -90.85 128.95 36.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 1.9 111.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -170.75 105.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 1.87 110.38 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.6 mp -102.09 -39.14 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.62 -0.264 . . . . 3.58 111.247 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 59' ' ' ILE . 20.7 tpt180 -176.37 165.35 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 4.62 110.758 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 42.4 pt -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 1.72 110.938 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.8 tp -92.63 147.35 22.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 2.58 110.892 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.18 157.06 16.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.095 -0.502 . . . . 1.94 110.62 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -106.3 17.59 23.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 3.13 111.491 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.13 0.51 61.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 2.64 111.961 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -137.44 -58.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 4.34 110.406 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.9 149.41 36.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 2.12 110.671 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.442 ' H ' ' HE1' ' A' ' 95' ' ' PHE . 37.1 p90 -126.21 138.22 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.041 0.448 . . . . 3.39 111.452 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -121.64 153.05 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 2.57 110.078 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 59' ' ' ILE . 29.9 m -91.24 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 1.95 111.292 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.42 107.19 8.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 3.84 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -93.37 141.64 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 4.12 110.629 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.04 136.55 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 3.04 110.578 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -132.36 23.43 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 3.88 110.821 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.1 p -59.02 -39.43 81.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 3.2 111.306 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -135.25 28.9 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 4.06 111.512 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 59.13 88.39 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.266 -0.424 . . . . 2.84 111.096 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.631 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 47.3 mmtm -73.85 -73.84 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 3.26 110.995 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -101.09 152.62 20.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.322 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 79' ' ' LEU . 8.9 p -146.51 165.52 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 1.72 110.717 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 78' ' ' VAL . 19.8 tp -134.52 122.08 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.525 -0.307 . . . . 2.3 110.736 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.626 ' HD2' ' HB ' ' A' ' 87' ' ' THR . 82.6 tttt -159.31 138.43 11.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 2.67 111.06 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 47' ' ' LEU . . . 175.6 -155.09 19.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.822 -0.704 . . . . 2.5 112.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.79 -158.19 8.31 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.743 -0.741 . . . . 2.63 112.761 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -80.6 -41.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.685 2.257 . . . . 4.13 112.607 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.15 156.26 15.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 3.0 111.19 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -115.72 18.83 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 5.04 110.707 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.96 82.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 1.92 112.259 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.626 ' HB ' ' HD2' ' A' ' 80' ' ' LYS . 9.8 t -57.98 136.96 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 1.68 111.436 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.604 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 77.6 m-85 -111.42 131.24 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 3.43 110.678 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 122' ' ' HIS . 16.7 ptm180 -97.81 144.37 27.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 3.79 110.834 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.836 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.7 pt? -100.09 142.89 30.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 2.52 110.598 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.572 HD13 HG23 ' A' ' 121' ' ' VAL . 3.9 mp -113.78 -70.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 2.47 111.493 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.11 172.17 18.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.76 0.314 . . . . 2.41 111.109 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 33.7 p90 -152.95 159.25 42.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 1.57 111.355 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 4.5 p-80 -128.3 166.17 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.736 -0.666 . . . . 1.29 110.18 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.442 ' HE1' ' H ' ' A' ' 66' ' ' PHE . 32.5 p90 -111.25 150.15 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 3.19 110.38 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -96.31 145.95 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 1.68 110.961 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 241' ' ' VAL . 7.3 m-90 -63.37 136.93 57.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 5.75 111.087 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 241' ' ' VAL . . . 179.59 108.17 0.23 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.96 -0.638 . . . . 3.04 112.25 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.621 ' H ' HG11 ' A' ' 241' ' ' VAL . 47.0 t -91.97 -35.27 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 4.29 111.075 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.7 mt -88.73 150.95 22.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 5.2 111.129 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -93.65 -0.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 5.33 110.855 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.83 -17.02 36.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.784 -0.722 . . . . 4.18 111.94 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.502 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 3.8 pt20 -139.45 148.17 42.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.681 0.277 . . . . 4.67 110.641 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.68 -60.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.524 -0.846 . . . . 1.95 112.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -80.8 168.75 18.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 2.04 111.11 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.68 16.92 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 2.64 110.927 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 50.0 m80 -143.52 169.89 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 2.11 110.618 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 42.8 m -137.26 80.64 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 1.88 111.318 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.482 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 26.0 m -84.66 148.17 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.521 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 32.74 21.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 2.18 110.404 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt 59.35 22.5 10.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.039 -0.528 . . . . 3.37 111.062 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -136.36 151.68 49.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 3.86 110.807 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.8 ttmp? -114.79 133.7 55.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 2.57 110.55 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -71.72 166.5 21.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.852 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.37 -28.09 22.4 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 1.72 110.945 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -175.4 176.23 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 1.55 110.822 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.35 152.84 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 2.4 111.104 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB ' ' A' ' 145' ' ' ILE . 67.4 mt -88.89 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 2.07 111.086 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.409 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -102.42 95.42 6.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 1.71 111.259 -179.699 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 143' ' ' LEU . 40.9 tp -102.34 136.26 42.49 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.194 -0.298 . . . . 2.51 110.194 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.572 HG23 HD13 ' A' ' 91' ' ' ILE . 22.1 m -112.4 147.56 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 1.83 111.73 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 31.8 m-70 -131.69 152.65 50.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 2.43 110.677 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -137.85 149.63 46.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.076 0.465 . . . . 3.95 111.096 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -76.09 111.83 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.708 -0.678 . . . . 2.19 110.529 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.5 t -84.67 -14.98 46.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.293 -0.412 . . . . 1.77 111.958 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -63.27 -32.23 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 3.65 110.854 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.09 -17.06 47.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 4.38 111.148 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 95.17 -26.41 19.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 2.22 113.17 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -143.25 146.83 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 3.07 111.233 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 134' ' ' VAL . 42.5 p90 -65.26 -21.27 66.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 3.08 110.79 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.05 95.96 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.512 -0.852 . . . . 2.36 111.768 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.72 -17.32 59.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 3.63 110.246 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.3 -34.29 68.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 1.73 110.446 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 130' ' ' PHE . 8.5 t -77.14 -2.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 2.3 110.67 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -72.1 -15.43 62.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.84 110.764 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -147.43 152.98 43.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.22 110.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.67 -10.83 29.62 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.552 2.168 . . . . 2.44 112.573 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.06 9.83 38.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 2.64 110.778 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.55 -16.32 40.23 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.816 -0.706 . . . . 1.49 112.308 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.1 pt? -140.14 126.22 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 1.76 110.825 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.36 160.71 24.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.98 111.006 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -120.72 112.16 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.3 111.242 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.588 ' HB3' HD23 ' A' ' 120' ' ' LEU . 50.8 tp -90.24 144.35 25.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 2.1 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -120.82 125.95 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.937 -0.649 . . . . 1.4 112.221 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.531 ' HB ' HD12 ' A' ' 118' ' ' LEU . 63.5 mt -119.17 140.07 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 1.53 111.223 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.9 82.89 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.981 -0.554 . . . . 4.48 111.204 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.13 -20.62 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 3.25 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -112.45 156.49 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 4.32 110.826 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.23 126.09 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 3.13 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.401 ' HA2' HG21 ' A' ' 222' ' ' VAL . . . -176.33 -102.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.421 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 217' ' ' VAL . 26.4 t -160.42 -177.43 6.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.756 0.312 . . . . 3.85 110.898 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.27 -52.69 5.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.408 . . . . 3.82 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 156' ' ' LEU . 8.8 ptpp? -106.3 151.4 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 5.19 111.058 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -84.71 1.03 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.684 2.256 . . . . 3.09 112.474 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.7 -48.66 3.37 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.722 -0.751 . . . . 2.71 112.831 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.408 ' H ' ' HG3' ' A' ' 153' ' ' LYS . 65.4 mt 60.69 29.08 18.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.359 . . . . 3.94 110.904 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -73.26 -56.99 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 3.55 110.76 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -71.45 -20.65 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 4.82 110.736 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.99 -22.85 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 3.12 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.49 -37.38 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 3.14 111.08 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.74 -47.1 85.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.417 . . . . 3.01 110.993 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 166' ' ' ILE . 27.7 m -76.03 -26.26 17.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 2.46 111.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 164' ' ' ASP . 2.5 tt -65.4 -52.8 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 2.31 111.234 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.428 ' N ' HD23 ' A' ' 163' ' ' LEU . 17.7 t70 -54.93 -17.66 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 2.42 110.592 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 33.6 t -85.81 -42.17 14.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 1.85 110.526 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 173' ' ' ALA . 23.6 pt -94.14 45.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 2.44 111.236 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.64 -48.44 66.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 3.75 110.711 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.631 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 29.8 p -107.79 148.42 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.763 -0.653 . . . . 2.36 110.626 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -63.48 139.24 58.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.742 0.306 . . . . 3.46 110.583 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 102.39 2.23 50.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.811 -0.709 . . . . 2.2 112.587 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -109.57 152.04 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 3.33 111.007 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 80.6 p -105.35 162.57 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 2.27 110.612 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.546 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -129.08 130.51 46.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 1.89 111.149 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.39 114.64 3.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.435 -0.348 . . . . 3.74 110.982 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -154.63 139.64 17.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.349 -0.387 . . . . 4.47 110.754 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 14.5 t -160.36 -173.86 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 4.59 110.751 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 54.35 56.74 6.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.056 0.455 . . . . 6.35 110.695 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -87.42 143.93 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 4.67 111.038 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.46 89.67 13.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.537 . . . . 3.92 111.042 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.476 ' HA ' HD23 ' A' ' 183' ' ' LEU . 72.8 Cg_endo -76.98 -8.09 17.62 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.501 2.134 . . . . 4.59 112.561 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.06 -19.36 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 8.64 110.783 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -76.5 -11.18 85.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 3.43 112.544 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 180' ' ' PRO . 3.7 mm? -85.83 18.21 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 5.71 110.583 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.497 HD12 ' HD2' ' A' ' 185' ' ' PRO . 51.9 tp -64.84 117.25 36.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 4.53 111.112 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.497 ' HD2' HD12 ' A' ' 184' ' ' LEU . 89.3 Cg_endo -80.8 133.84 9.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.506 2.137 . . . . 3.71 112.456 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -82.68 -10.62 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 6.38 110.849 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.9 m -121.61 156.53 32.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 5.07 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 86.7 mt -117.28 144.34 44.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.322 -0.399 . . . . 4.32 111.0 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -176.7 144.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.514 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.582 ' HB2' ' HB3' ' A' ' 258' ' ' SER . 84.5 m-85 -135.04 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 3.36 110.724 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.731 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 74.5 t90 -176.24 114.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 4.16 110.23 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.5 t -129.16 163.95 24.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 1.5 111.5 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -146.73 75.62 12.0 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 2.91 110.671 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.78 136.56 6.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.661 2.241 . . . . 1.48 112.307 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 153.31 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.654 -0.784 . . . . 1.64 112.671 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.608 ' HA ' HD13 ' A' ' 203' ' ' LEU . 77.6 p -151.87 137.99 18.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.784 0.326 . . . . 2.75 111.256 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.77 ' H ' HD22 ' A' ' 203' ' ' LEU . 60.0 mt -111.16 -179.61 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 5.98 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 28' ' ' GLN . 4.4 m -90.37 23.34 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 5.3 110.55 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.451 ' OG1' HD23 ' A' ' 203' ' ' LEU . 31.1 p -96.53 157.07 35.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.76 -0.655 . . . . 4.96 111.156 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 202' ' ' LEU . 88.8 Cg_exo -46.93 160.66 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.725 2.283 . . . . 5.64 112.329 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 202' ' ' LEU . 53.6 Cg_exo -52.86 85.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.721 2.281 . . . . 6.0 112.518 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 201' ' ' PRO . 25.3 tp 177.13 52.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 5.41 109.772 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.77 HD22 ' H ' ' A' ' 197' ' ' LEU . 2.1 pp -135.16 27.48 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.697 -0.683 . . . . 5.02 111.153 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.77 3.16 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.102 -0.499 . . . . 3.98 111.012 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.7 m -148.01 47.58 1.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 2.48 111.52 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.35 122.59 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.94 0.4 . . . . 1.8 111.718 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 91.6 m -113.3 140.56 47.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 1.27 110.438 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -100.64 115.54 30.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 2.43 110.966 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -117.21 155.2 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 1.45 110.741 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 209' ' ' ILE . 33.8 m -109.37 139.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 2.12 110.853 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 15.5 tp -69.73 132.78 46.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 3.85 110.834 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -71.33 -9.95 58.97 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.248 -0.433 . . . . 5.85 111.228 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.421 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 17.4 mm-40 -70.67 162.18 72.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.409 -0.36 . . . . 5.91 110.759 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 185' ' ' PRO . 78.7 Cg_exo -48.1 142.49 15.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.397 2.065 . . . . 3.58 112.507 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 20.0 mt -79.92 149.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 4.42 111.44 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 40.8 t -65.18 173.21 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 3.53 110.718 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 151' ' ' SER . 31.2 m -99.04 177.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 2.45 110.76 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 35.0 t -102.72 170.8 7.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 3.39 111.554 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 45.0 t -52.59 -37.99 59.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 2.82 110.903 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.74 -29.5 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 4.51 111.265 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -87.98 -21.37 24.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 3.92 111.347 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 225' ' ' PHE . 18.2 m -117.04 31.06 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.676 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.54 -28.13 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.757 0.313 . . . . 2.8 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.413 ' HA ' ' HE3' ' A' ' 227' ' ' LYS . 34.8 mtmm -86.46 -22.88 26.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.78 111.133 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 222' ' ' VAL . 78.4 t80 -84.07 -29.81 26.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 3.33 110.945 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 226' ' ' ARG . 2.8 mmp_? -69.62 -1.05 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 4.82 111.611 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 224' ' ' LYS . 96.1 mttt -69.91 -8.86 52.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.702 0.287 . . . . 3.25 111.099 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.13 161.92 6.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.411 . . . . 2.93 111.127 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -93.27 139.87 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 2.92 111.047 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -89.5 3.46 52.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 5.3 110.851 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -166.09 122.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 4.3 110.6 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . 0.631 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . -76.57 171.66 54.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.581 -0.818 . . . . 4.09 112.428 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.83 142.35 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 7.57 110.723 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 68.8 10.96 62.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 6.31 112.33 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -101.83 149.99 36.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.401 0.143 . . . . 5.7 110.879 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.54 136.93 65.4 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.508 2.139 . . . . 6.54 112.12 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.26 101.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 6.78 111.105 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -113.29 121.89 45.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 5.03 110.702 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 242' ' ' ASP . 61.0 tp -66.48 146.91 54.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 5.11 111.034 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 61.8 mtt -47.12 -64.12 0.86 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.19 -0.459 . . . . 5.21 111.007 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 99' ' ' SER . 2.3 p -141.47 144.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 3.44 111.434 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.441 ' HB3' HD23 ' A' ' 239' ' ' LEU . 5.1 p-10 -162.76 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.704 . . . . 3.67 110.081 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -131.51 56.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 3.74 110.692 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -97.0 167.9 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.024 -0.535 . . . . 3.25 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -136.74 158.11 73.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 3.78 111.086 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' PRO . 50.3 Cg_exo -54.37 173.13 0.25 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.478 2.119 . . . . 2.43 112.465 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -145.13 31.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 3.18 110.97 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -69.01 119.27 68.76 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.162 -0.472 . . . . 5.35 110.955 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.57 136.5 21.46 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.369 2.046 . . . . 4.02 112.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 49.7 mt -80.17 -48.92 12.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 3.94 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -177.0 -63.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 6.83 110.542 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . 0.422 HD21 HG21 ' A' ' 37' ' ' THR . 3.8 t-20 -168.88 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 5.02 110.666 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 60.59 158.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.115 0.483 . . . . 5.82 111.634 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -108.68 143.23 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 3.22 110.481 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 38' ' ' ALA . 10.8 tp -92.28 144.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 2.02 111.429 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -112.77 73.12 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 2.91 110.402 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.83 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 1.46 111.13 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 190' ' ' TYR . 48.5 t -76.85 -43.32 36.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.11 -0.495 . . . . 2.32 110.287 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -112.91 176.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 3.3 111.169 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.185 -0.912 . . . . 4.59 111.075 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.483 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.697 0.284 . . . . 32.91 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -157.55 24.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 30.03 111.12 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -147.9 -7.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 29.61 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -75.79 -0.41 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 26.81 111.041 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 77.7 t-105 -107.49 141.7 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 25.62 110.705 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.04 57.63 0.26 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.863 -0.684 . . . . 23.39 112.318 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -102.24 119.3 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 23.38 110.874 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.41 -45.38 0.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.638 -0.792 . . . . 19.99 112.869 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -80.82 -38.03 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 19.34 111.221 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -67.25 -29.85 69.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 18.14 111.095 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -111.46 26.6 10.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 18.74 111.136 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.33 76.27 0.41 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.664 -0.779 . . . . 16.42 112.672 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.39 101.09 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.547 2.165 . . . . 15.7 112.093 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -80.83 -170.81 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 15.32 110.961 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 58.51 75.14 0.4 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.04 -0.527 . . . . 15.63 110.967 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -58.01 -26.3 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 11.72 110.841 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.76 -38.96 57.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 12.77 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -98.0 10.98 39.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 15.94 111.254 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.86 -52.12 2.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 12.96 110.573 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -94.61 149.63 36.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 10.55 110.681 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 43.2 1.45 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.597 2.198 . . . . 9.69 112.777 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 mm -76.02 -43.23 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 8.17 110.814 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.87 -27.07 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 9.4 110.605 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.5 -13.29 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 13.28 110.517 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.29 116.39 9.3 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 8.88 112.33 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -77.4 112.35 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 8.92 110.818 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG2' HD13 ' A' ' 203' ' ' LEU . 80.0 mtp180 -88.44 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 9.6 110.668 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -164.31 124.34 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 6.33 111.027 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -93.18 116.2 66.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 3.57 110.819 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.21 135.64 65.48 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.385 2.057 . . . . 2.88 112.227 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.1 p -138.08 163.45 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.212 -0.449 . . . . 2.26 110.696 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.73 98.74 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 2.44 111.025 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.3 mp -78.0 125.9 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 1.53 110.748 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB2' HG22 ' A' ' 37' ' ' THR . 1.4 m-20 -112.74 127.47 56.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.51 111.04 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.6 m -80.24 -26.16 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 1.95 110.628 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.94 -40.89 83.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 3.43 111.01 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 255' ' ' ILE . 11.6 t -81.23 -14.8 57.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.73 111.051 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 157.46 27.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 1.29 111.116 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -125.97 120.78 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 3.53 110.948 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -57.1 123.51 15.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 4.17 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -119.63 95.42 49.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 3.04 110.944 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.36 -6.76 16.63 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.394 2.063 . . . . 2.3 112.363 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.8 m -60.85 -45.57 94.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 3.07 110.907 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -72.46 133.22 44.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 3.08 110.855 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.85 152.21 50.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 4.28 110.718 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.6 127.81 22.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.542 2.161 . . . . 2.41 112.366 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 47' ' ' LEU . 2.1 pp -62.02 172.99 1.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 5.24 111.288 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 60.7 m -135.53 150.45 49.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 2.67 110.772 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.78 137.75 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 2.44 111.388 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' ' 78' ' ' VAL . 53.2 m -113.54 145.68 40.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 2.58 110.96 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -166.46 57.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 4.87 110.882 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.86 -42.49 14.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.563 . . . . 4.17 109.827 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -99.91 -3.75 31.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 4.62 110.357 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -51.08 121.05 5.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.479 . . . . 1.97 111.194 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.7 m -149.68 142.29 24.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.9 111.267 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -86.89 149.79 24.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.057 -0.519 . . . . 1.87 110.37 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 tp -117.91 -38.86 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 3.58 111.825 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -167.76 162.69 13.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.347 . . . . 4.62 111.279 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' O ' HG13 ' A' ' 59' ' ' ILE . 23.4 pt -128.96 104.58 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.119 -0.491 . . . . 1.72 111.04 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.9 tp -113.34 153.68 28.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.181 -0.463 . . . . 2.58 111.403 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.454 HD22 ' HG3' ' A' ' 169' ' ' LYS . 1.9 m-20 -110.93 162.14 15.13 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.909 -0.587 . . . . 1.94 110.684 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.82 15.35 25.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.832 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 14.29 61.47 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.507 -0.854 . . . . 2.64 112.562 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 230' ' ' PHE . 12.7 p80 -175.23 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.913 0.387 . . . . 4.34 110.303 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 137.19 53.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 2.12 109.766 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 94' ' ' HIS . 37.7 p90 -120.1 133.79 55.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.972 0.415 . . . . 3.39 111.114 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 1.5 m-20 -109.01 101.3 10.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.92 -0.582 . . . . 2.57 110.216 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' A' ' 59' ' ' ILE . 24.9 m -119.24 147.28 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.95 111.412 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -175.07 -96.04 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.294 -0.412 . . . . 3.84 110.934 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -138.06 175.36 9.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.697 0.284 . . . . 4.12 110.728 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -67.69 135.62 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 3.04 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -97.24 -11.15 24.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 3.88 110.965 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 t -54.9 -40.2 69.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 3.2 110.987 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -126.0 173.69 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 4.06 110.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.52 51.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 2.84 111.07 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 6.2 ptpp? -69.52 -7.03 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.062 -0.517 . . . . 3.26 110.968 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -155.36 120.2 4.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.136 -0.484 . . . . 1.42 110.995 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 50' ' ' SER . 32.6 m -121.53 167.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 1.72 111.021 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 tt -142.55 141.52 32.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 2.3 110.907 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HB2' ' H ' ' A' ' 48' ' ' SER . 96.8 mttt -117.1 168.99 9.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 2.67 110.556 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -133.76 30.53 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 2.5 112.642 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -165.34 30.21 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.762 -0.732 . . . . 2.63 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.01 -10.23 27.88 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.523 2.149 . . . . 4.13 112.376 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.37 149.47 42.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 3.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -91.17 0.26 57.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 5.04 110.771 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.89 72.5 2.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.787 -0.721 . . . . 1.92 112.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -66.32 129.35 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 1.68 111.795 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.501 ' HB3' ' HB3' ' A' ' 122' ' ' HIS . 48.1 m-85 -92.79 120.56 33.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 3.43 110.171 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 125' ' ' THR . 56.2 ttp180 -66.37 136.68 56.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.318 . . . . 3.79 111.14 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.42 139.85 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.52 110.368 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.4 mp -110.43 -80.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.46 -0.336 . . . . 2.47 111.73 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -151.01 171.15 17.76 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.639 0.257 . . . . 2.41 110.907 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 31.3 p90 -138.64 144.92 39.9 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.977 0.418 . . . . 1.57 111.262 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.566 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 9.4 p-80 -117.66 168.07 10.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.804 -0.634 . . . . 1.29 110.732 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -120.61 154.12 35.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.958 0.409 . . . . 3.19 111.91 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -112.06 161.97 15.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.855 -0.611 . . . . 1.68 110.445 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.406 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 21.9 m-90 -140.56 109.43 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.701 0.286 . . . . 5.75 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.53 151.81 36.66 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.67 -0.776 . . . . 3.04 112.68 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.474 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 85.1 p -72.47 -15.51 61.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.824 0.345 . . . . 4.29 110.869 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 76.5 mt -87.69 137.07 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 5.2 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.22 17.02 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 5.33 110.938 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.98 -42.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 4.18 112.301 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 3.7 pt20 -167.86 143.22 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 4.67 110.861 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.96 58.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 1.95 112.582 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.8 t -104.81 151.59 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.635 0.255 . . . . 2.04 110.782 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.42 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.453 -0.34 . . . . 2.64 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -85.46 168.29 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 2.11 110.767 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.4 p -139.49 108.18 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 1.88 111.008 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.421 HG12 ' HB ' ' A' ' 33' ' ' ILE . 32.6 m -93.13 156.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 2.24 111.265 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 4.4 m-20 54.81 30.6 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.824 -0.625 . . . . 2.18 111.18 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 58.79 22.62 10.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 3.37 111.155 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 110' ' ' ASP . 75.8 mmtt -126.08 149.09 49.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.55 . . . . 3.86 110.804 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.78 150.65 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 2.57 110.955 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.27 171.88 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 2.18 110.44 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -61.65 -54.16 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 1.72 111.037 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.61 -179.58 7.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 1.55 110.726 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -152.51 134.0 14.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 2.4 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 147' ' ' LEU . 3.5 pp -86.85 147.73 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 2.07 110.292 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.566 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 8.4 m170 -117.82 121.53 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 1.71 111.816 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 143' ' ' LEU . 1.1 mp -105.82 142.85 34.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 2.51 110.481 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.9 t -111.37 138.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 1.83 111.071 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 88' ' ' TYR . 74.0 m80 -131.8 132.94 44.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.304 -0.407 . . . . 2.43 111.002 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -129.78 139.76 51.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 3.95 110.676 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -56.35 110.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.867 -0.606 . . . . 2.19 111.27 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 89' ' ' ARG . 4.2 t -74.57 -15.08 60.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 1.77 110.707 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -57.5 -33.38 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 3.65 110.651 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -89.4 -20.96 23.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.015 -0.539 . . . . 4.38 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.4 -12.25 51.99 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 2.22 112.267 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -141.59 145.47 35.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 3.07 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -72.53 -19.36 61.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 3.08 110.858 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -54.69 -42.39 77.57 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.766 -0.731 . . . . 2.36 112.471 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -85.87 -17.35 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.382 . . . . 3.63 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.56 67.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.984 -0.553 . . . . 1.73 110.856 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.686 ' HA ' HD22 ' A' ' 140' ' ' LEU . 19.3 m -75.32 -7.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 2.3 111.188 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -82.11 8.74 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 3.84 111.308 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 139' ' ' GLY . 3.7 pt20 -158.98 140.47 9.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.473 -0.331 . . . . 3.22 110.878 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 136' ' ' GLN . 31.1 Cg_exo -61.63 -19.87 66.63 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.533 2.156 . . . . 2.44 112.161 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -102.58 22.07 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 2.64 110.944 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 136' ' ' GLN . . . -108.65 -17.62 10.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.843 -0.694 . . . . 1.49 112.423 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 134' ' ' VAL . 1.6 pt? -139.64 128.17 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 1.76 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.38 122.08 38.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.98 110.844 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.3 t -94.21 108.7 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.3 111.172 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 211' ' ' LEU . 20.4 tp -85.99 144.41 27.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 2.1 110.439 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -132.69 132.8 6.75 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.515 -0.85 . . . . 1.4 113.03 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.482 HD12 HD11 ' A' ' 118' ' ' LEU . 68.0 mt -128.81 110.18 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 1.53 110.813 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -63.63 159.45 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 4.48 110.789 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 118' ' ' LEU . 89.8 mt -132.66 125.1 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 3.25 110.868 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -116.77 143.78 45.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 4.32 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.6 t -93.73 147.44 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 3.13 110.921 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.73 19.35 9.25 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.722 -0.752 . . . . 3.15 112.648 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.5 m -122.72 107.03 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 3.85 110.843 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.509 ' HA ' ' HB3' ' A' ' 218' ' ' SER . . . -59.35 137.66 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.989 -0.55 . . . . 3.82 111.13 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 156' ' ' LEU . 17.1 pttp -68.08 134.53 91.64 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.233 -0.44 . . . . 5.19 110.746 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 26.8 Cg_exo -62.87 -0.49 2.09 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.526 2.151 . . . . 3.09 112.368 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 133.76 62.21 0.07 OUTLIER Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.829 -0.7 . . . . 2.71 112.424 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 153' ' ' LYS . 8.4 mp -114.86 26.16 10.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.759 0.314 . . . . 3.94 110.781 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.92 -46.16 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 3.55 111.177 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -54.84 -44.21 73.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 4.82 111.315 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.15 -26.93 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 3.12 111.044 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.98 -31.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 3.14 111.223 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.76 -42.34 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 3.01 110.784 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.88 -23.36 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 2.46 111.143 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 164' ' ' ASP . 4.1 tt -69.28 -53.85 17.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 2.31 111.309 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.425 ' N ' HD23 ' A' ' 163' ' ' LEU . 21.1 t70 -56.34 -13.06 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 2.42 110.988 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 34.3 t -84.76 -44.01 13.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 1.85 111.425 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.515 HG22 ' CB ' ' A' ' 171' ' ' LYS . 1.6 pp -130.22 47.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.966 0.412 . . . . 2.44 111.363 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -66.97 -47.83 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 3.75 111.588 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.458 ' HB ' ' HA2' ' A' ' 232' ' ' GLY . 40.1 p -72.62 151.94 42.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.378 . . . . 2.36 111.522 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.454 ' HG3' HD22 ' A' ' 61' ' ' ASN . 4.9 mptp? -72.28 148.05 45.82 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 3.46 111.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.43 -21.11 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.866 -0.683 . . . . 2.2 112.39 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.515 ' CB ' HG22 ' A' ' 166' ' ' ILE . 59.1 mttp -109.08 177.15 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.97 0.414 . . . . 3.33 111.115 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 88.1 p -160.93 169.01 23.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.83 -0.623 . . . . 2.27 110.516 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -153.65 140.34 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.723 0.297 . . . . 1.89 111.287 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -87.38 130.41 34.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.315 -0.402 . . . . 3.74 110.976 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -145.74 104.97 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.306 -0.406 . . . . 4.47 110.734 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 35.3 p -107.84 -172.91 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 4.59 111.403 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 57.49 56.83 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.566 . . . . 6.35 111.058 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . 0.442 ' O ' ' HD3' ' A' ' 180' ' ' PRO . 68.4 t80 -93.86 150.99 19.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 4.67 110.673 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -114.11 85.44 10.24 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 3.92 111.243 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.578 ' HA ' HD13 ' A' ' 183' ' ' LEU . 14.9 Cg_exo -68.66 -8.05 22.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.617 2.211 . . . . 4.59 112.326 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.31 -36.93 83.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 8.64 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -71.41 -14.47 74.55 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.636 -0.793 . . . . 3.43 112.506 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 180' ' ' PRO . 6.7 mp -94.69 19.07 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.563 0.22 . . . . 5.71 110.987 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 pp -49.59 133.5 19.32 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.299 -0.409 . . . . 4.53 111.113 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.41 162.16 19.67 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.71 2.274 . . . . 3.71 112.557 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.8 -21.43 61.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 6.38 111.032 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 58.5 m 52.45 78.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 5.07 111.111 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.464 ' HB2' ' HG2' ' A' ' 212' ' ' LYS . 11.5 mt -150.77 -177.79 6.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.434 . . . . 4.32 111.112 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.409 ' HB2' ' HD2' ' A' ' 259' ' ' PHE . 9.2 m-20 -54.39 166.76 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 3.78 110.796 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 258' ' ' SER . 36.9 p90 -166.75 139.99 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 3.36 110.67 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.623 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 43.6 p90 -76.81 152.15 35.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 4.16 110.761 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 257' ' ' ALA . 8.1 t -135.12 170.52 15.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 1.5 111.388 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 208' ' ' TRP . 82.5 t80 -169.61 130.9 1.02 Allowed Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.041 -0.527 . . . . 2.91 110.372 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.03 127.57 26.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.198 1.932 . . . . 1.48 112.292 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.534 ' H ' ' HA ' ' A' ' 207' ' ' THR . . . -93.65 10.16 72.91 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.729 -0.748 . . . . 1.64 112.507 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 204' ' ' GLU . 79.2 p -113.72 -175.66 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.565 0.222 . . . . 2.75 110.877 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 96.7 mt 66.25 1.1 1.89 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.153 -0.476 . . . . 5.98 111.214 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 74.8 p -112.46 18.07 18.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.273 0.559 . . . . 5.3 110.025 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.481 HG21 ' HB2' ' A' ' 203' ' ' LEU . 0.8 OUTLIER -149.34 149.68 29.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.341 -0.845 . . . . 4.96 110.96 -179.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 201' ' ' PRO . 67.7 Cg_exo -39.78 152.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.776 2.317 . . . . 5.64 112.475 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 200' ' ' PRO . 52.5 Cg_exo -54.63 84.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.66 2.24 . . . . 6.0 112.675 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.425 ' HG ' HD23 ' A' ' 203' ' ' LEU . 41.1 tp -173.74 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.102 -0.499 . . . . 5.41 110.911 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.481 ' HB2' HG21 ' A' ' 199' ' ' THR . 9.3 mt -95.28 42.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 5.02 110.83 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 196' ' ' SER . 47.0 mt-10 -91.84 20.28 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 3.98 110.807 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 73.2 m -117.19 15.83 14.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 2.48 110.446 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 12.2 t -103.71 132.46 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.748 -0.66 . . . . 1.8 110.985 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.534 ' HA ' ' H ' ' A' ' 195' ' ' GLY . 27.7 m -113.59 149.18 34.89 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.541 -0.299 . . . . 1.27 110.88 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' TYR . 50.5 t-105 -111.26 108.76 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 2.43 110.854 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.489 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -131.78 155.44 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 1.45 110.891 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.41 HG21 ' NE1' ' A' ' 191' ' ' TRP . 35.3 m -128.35 145.49 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 2.12 111.292 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.54 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 29.1 tp -94.22 147.62 23.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.925 -0.58 . . . . 3.85 110.764 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 188' ' ' LEU . 22.8 tptm -66.59 -20.1 65.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 5.85 111.16 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.54 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 40.7 tt0 -57.08 110.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.416 -0.356 . . . . 5.91 110.674 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -83.99 130.31 4.86 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.543 2.162 . . . . 3.58 112.85 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 44.0 mm -130.91 120.95 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 4.42 110.365 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 60.0 m -136.9 151.37 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 3.53 111.305 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.48 155.29 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 2.45 110.602 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.509 ' HB3' ' HA ' ' A' ' 152' ' ' ALA . 92.4 p -89.89 148.45 23.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.839 0.352 . . . . 3.39 110.738 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.413 ' O ' HG12 ' A' ' 222' ' ' VAL . 49.2 m -62.58 -15.33 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.035 -0.529 . . . . 2.82 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.42 -31.27 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 4.51 111.201 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -87.88 -15.34 36.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 3.92 112.013 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.424 HG13 HD22 ' A' ' 223' ' ' LEU . 14.5 p -74.11 -27.05 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 2.44 110.952 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 222' ' ' VAL . 4.2 mm? -65.04 -22.12 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 2.8 110.434 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -84.72 -31.72 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 3.78 110.754 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -71.8 -24.06 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 3.33 110.841 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -84.63 -1.08 55.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.992 -0.549 . . . . 4.82 111.062 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -83.45 -30.72 27.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 3.25 111.103 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.431 HD13 ' HE2' ' A' ' 169' ' ' LYS . 4.2 pp -74.93 162.03 28.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.37 -0.377 . . . . 2.93 110.796 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 229' ' ' ASN . 0.9 OUTLIER -109.07 160.95 15.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 2.92 110.979 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.563 ' HB3' ' HB3' ' A' ' 238' ' ' GLU . 64.8 t80 -53.15 -47.56 68.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.837 0.351 . . . . 5.3 110.446 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -125.09 47.89 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 4.3 110.805 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . 0.458 ' HA2' ' HB ' ' A' ' 168' ' ' THR . . . 60.75 178.88 2.29 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.095 -0.574 . . . . 4.09 113.219 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -86.35 157.3 19.91 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.859 0.361 . . . . 7.57 111.178 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 87.44 9.18 72.99 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 6.31 112.099 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 236' ' ' PRO . 10.2 mm-40 -120.44 164.49 22.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.533 -0.173 . . . . 5.7 110.533 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 235' ' ' GLU . 83.6 Cg_exo -48.37 163.16 0.27 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.338 2.025 . . . . 6.54 112.143 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.0 90.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 6.78 110.99 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 230' ' ' PHE . 21.5 mm-40 -110.28 118.78 37.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 5.03 110.709 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.3 mp -79.05 120.02 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 5.11 111.306 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 15.6 ptm -62.25 -26.05 68.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 5.21 110.816 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 34.3 m -88.96 -171.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.559 -0.746 . . . . 3.44 111.141 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 241' ' ' VAL . 25.5 t70 78.73 33.98 0.25 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.979 -0.555 . . . . 3.67 110.598 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.406 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 2.2 m-20 -112.0 39.59 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.651 -0.704 . . . . 3.74 110.364 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -106.01 150.95 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.684 . . . . 3.25 110.968 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 246' ' ' PRO . 25.3 mmm180 -123.52 128.39 25.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.954 -0.566 . . . . 3.78 110.705 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 245' ' ' ARG . 21.5 Cg_exo -66.23 143.11 69.64 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.563 2.175 . . . . 2.43 112.461 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -99.11 173.51 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 3.18 110.916 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 12.1 pt20 -136.31 137.61 24.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.373 -0.376 . . . . 5.35 111.047 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 13.3 Cg_exo -69.53 125.8 12.7 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.681 2.254 . . . . 4.02 112.245 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 250' ' ' LEU . 0.3 OUTLIER -80.08 -41.87 24.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 3.94 111.139 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 56.38 21.22 5.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 6.83 109.952 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.15 -174.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.551 -0.75 . . . . 5.02 110.753 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -71.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 5.82 110.945 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -133.32 154.4 50.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 3.22 110.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.64 HG22 HG23 ' A' ' 37' ' ' THR . 17.7 tt -111.93 131.65 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 2.02 111.04 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -70.25 118.73 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 2.91 110.739 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -150.78 140.72 21.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.327 -0.397 . . . . 1.46 111.224 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 190' ' ' TYR . 44.9 t -79.3 -8.05 58.76 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.143 0.497 . . . . 2.32 109.987 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.409 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 88.6 t80 -111.71 137.84 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.452 -0.795 . . . . 3.3 110.478 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.384 -0.817 . . . . 4.59 111.2 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.444 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.851 0.358 . . . . 32.91 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 56.19 71.19 0.58 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.059 -0.519 . . . . 30.03 111.036 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -140.92 144.53 35.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 29.61 110.718 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -95.46 90.46 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 26.81 110.966 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -96.44 154.42 17.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 25.62 110.798 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.67 -9.07 47.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 23.39 112.44 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -84.5 -59.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 23.38 110.839 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.93 23.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.812 -0.709 . . . . 19.99 112.492 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -78.26 -46.33 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 19.34 110.988 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -92.75 -21.56 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 18.14 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -91.32 10.33 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 18.74 110.817 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.9 173.4 19.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 16.42 112.404 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -67.86 157.07 63.41 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.412 2.075 . . . . 15.7 112.28 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -163.54 -27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 15.32 110.71 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -65.72 99.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 15.63 111.09 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -61.06 -25.53 67.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 11.72 111.168 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.497 ' HB2' ' HG3' ' A' ' 24' ' ' LYS . 18.2 p-80 -80.46 -23.12 40.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.473 . . . . 12.77 111.524 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -77.28 -19.92 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 15.94 111.288 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.0 -54.71 2.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.74 0.305 . . . . 12.96 111.265 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -99.36 147.14 32.92 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.36 . . . . 10.55 111.05 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -83.96 42.94 1.29 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.641 2.227 . . . . 9.69 112.484 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.0 mm -73.47 -54.7 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 8.17 110.988 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 17' ' ' HIS . . . -87.93 -36.94 16.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.09 -0.504 . . . . 9.4 111.186 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' A' ' 17' ' ' HIS . 99.1 mttt -84.37 6.91 21.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.351 -0.386 . . . . 13.28 110.905 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.94 79.61 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 8.88 112.391 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -165.98 43.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.428 . . . . 8.92 110.688 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.84 -23.67 66.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 9.6 110.371 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.519 ' HA ' HG21 ' A' ' 198' ' ' THR . 18.9 mt-30 46.41 82.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 6.33 111.349 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -127.61 143.54 47.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.438 -0.346 . . . . 3.57 111.094 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.88 156.66 52.45 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.645 2.23 . . . . 2.88 111.916 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 32' ' ' ASP . 27.0 t -117.75 157.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 2.26 110.549 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.9 m-20 -93.97 98.56 11.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 2.44 110.508 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' HB ' HG12 ' A' ' 109' ' ' VAL . 4.4 mp -96.93 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 1.53 111.105 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 37' ' ' THR . 5.3 m-20 -109.85 129.24 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.51 111.09 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.7 m -76.69 -19.94 57.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 1.95 110.538 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -67.01 -40.59 87.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.793 -0.64 . . . . 3.43 110.824 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 34' ' ' ASP . 13.5 t -78.47 -10.2 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 1.73 111.132 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.09 155.88 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.102 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -147.12 149.99 34.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 3.53 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 257' ' ' ALA . 35.1 p90 -93.7 138.9 31.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 4.17 110.906 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.71 94.01 33.11 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 3.04 110.984 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -78.51 34.98 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.487 2.125 . . . . 2.3 112.457 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 m -65.86 -45.33 82.52 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.374 -0.376 . . . . 3.07 111.075 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.52 154.68 41.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 3.08 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -107.49 126.05 30.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 4.28 110.817 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.99 129.89 11.84 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.024 . . . . 2.41 112.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.73 -61.7 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 5.24 111.03 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.429 ' H ' ' HB2' ' A' ' 80' ' ' LYS . 35.5 t -135.73 151.01 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 2.67 111.022 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG13 ' HB3' ' A' ' 52' ' ' ASP . 10.2 p -106.92 143.38 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 2.44 110.714 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.8 p -90.84 151.76 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 2.58 111.713 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' H ' ' HA ' ' A' ' 77' ' ' ALA . 22.5 t80 63.34 43.25 6.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.635 -0.711 . . . . 4.87 110.855 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' HB3' HG13 ' A' ' 49' ' ' VAL . 7.2 p-10 -92.23 -30.06 16.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.786 -0.643 . . . . 4.17 110.133 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -145.72 23.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 4.62 110.914 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.42 144.28 51.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.42 -0.355 . . . . 1.97 111.115 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 178' ' ' PHE . 94.7 m -143.48 138.54 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.9 111.308 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -90.12 144.47 25.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.026 -0.534 . . . . 1.87 110.762 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.22 -36.12 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 3.58 111.144 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -158.84 143.83 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.265 -0.425 . . . . 4.62 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.3 pt -127.15 127.56 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 1.72 110.913 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HG ' ' HB2' ' A' ' 172' ' ' SER . 5.2 mp -113.31 155.16 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 2.58 111.358 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.446 HD21 ' HB ' ' A' ' 166' ' ' ILE . 2.5 m-20 -109.85 151.18 27.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 1.94 110.582 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.27 23.37 14.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.952 0.353 . . . . 3.13 111.952 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.8 14.45 82.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.381 -0.914 . . . . 2.64 112.555 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -172.12 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.952 0.406 . . . . 4.34 110.437 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -129.98 141.88 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.912 -0.586 . . . . 2.12 110.685 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -125.06 153.61 42.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.175 -0.466 . . . . 3.39 111.038 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.71 152.98 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 2.57 110.431 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.6 m -95.82 135.63 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 1.95 111.237 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -121.05 141.52 50.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.813 0.34 . . . . 3.84 110.968 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -102.2 145.52 29.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 4.12 110.767 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.7 152.07 32.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.164 -0.471 . . . . 3.04 110.648 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.75 3.92 49.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 3.88 111.5 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.8 p -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 3.2 110.553 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -128.63 -174.55 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.836 -0.62 . . . . 4.06 110.405 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.21 -26.92 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 2.84 110.768 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 60.17 -88.77 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.967 -0.561 . . . . 3.26 111.661 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HA ' ' H ' ' A' ' 51' ' ' TYR . . . -102.26 123.57 46.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 1.42 111.193 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 89' ' ' ARG . 16.6 m -142.03 127.87 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 1.72 111.183 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.5 tp -114.01 134.13 55.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.38 -0.373 . . . . 2.3 111.094 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 48' ' ' SER . 97.1 mttt -128.28 169.24 14.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 2.67 110.493 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.35 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 2.5 112.432 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.26 -150.96 18.73 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.563 -0.827 . . . . 2.63 112.067 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.19 86.01 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.238 1.959 . . . . 4.13 111.406 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.0 tp -53.23 114.6 1.53 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.115 -0.493 . . . . 3.0 111.451 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -134.4 26.6 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 5.04 109.991 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.29 104.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.723 -0.671 . . . . 1.92 111.987 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -57.23 147.63 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 1.68 111.495 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -97.76 117.21 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.956 -0.565 . . . . 3.43 110.684 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HG2' HG12 ' A' ' 78' ' ' VAL . 73.4 mtt180 -100.37 134.52 43.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 3.79 111.049 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 8.4 mp -83.14 130.28 35.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.227 -0.442 . . . . 2.52 110.479 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.527 HG13 ' H ' ' A' ' 92' ' ' GLN . 1.6 pt -96.77 -62.38 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 2.47 111.875 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.527 ' H ' HG13 ' A' ' 91' ' ' ILE . 10.0 pt20 -156.91 155.02 30.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.856 0.36 . . . . 2.41 111.529 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 120' ' ' LEU . 38.9 p90 -153.82 147.17 24.85 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.955 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.541 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 19.0 p-80 -114.95 165.66 12.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.205 -0.452 . . . . 1.29 110.987 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -111.42 163.7 13.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.974 0.416 . . . . 3.19 111.417 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -123.79 152.62 42.02 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.888 -0.596 . . . . 1.68 110.554 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.519 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 22.7 m-90 -140.41 103.26 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 5.75 111.221 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.36 172.69 55.12 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.702 -0.761 . . . . 3.04 112.484 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.556 ' HA ' ' HB ' ' A' ' 241' ' ' VAL . 33.0 t -75.73 -33.38 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 4.29 110.652 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.68 135.49 52.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.883 -0.599 . . . . 5.2 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.81 7.03 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 5.33 110.757 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.6 -22.24 6.47 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 4.18 112.171 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -157.38 169.19 25.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 4.67 110.933 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.454 ' H ' ' HE3' ' A' ' 113' ' ' LYS . . . 102.02 48.3 1.37 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.86 -0.686 . . . . 1.95 112.319 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.597 ' H ' ' HE3' ' A' ' 113' ' ' LYS . 41.2 t -101.64 -77.69 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 2.04 111.341 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.48 -25.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 2.64 110.616 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 248' ' ' GLN . 14.0 p80 -157.07 176.45 12.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.866 -0.606 . . . . 2.11 110.321 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.0 p -129.78 100.39 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 1.88 111.659 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.493 HG12 ' HB ' ' A' ' 33' ' ' ILE . 24.2 m -98.03 147.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.332 -0.394 . . . . 2.24 110.778 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.9 t70 54.35 33.14 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 2.18 110.452 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 62.65 25.22 15.0 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.853 -0.612 . . . . 3.37 111.135 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -134.86 155.38 50.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 3.86 110.802 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.597 ' HE3' ' H ' ' A' ' 105' ' ' SER . 45.0 tttp -122.71 148.85 44.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.102 -0.499 . . . . 2.57 110.439 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -91.96 166.72 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 2.18 110.884 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 148' ' ' LYS . . . -73.82 -43.91 57.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.278 . . . . 1.72 111.091 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.13 177.28 5.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.268 -0.424 . . . . 1.55 111.051 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.577 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 44.3 mt-10 -150.73 136.58 18.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.486 -0.324 . . . . 2.4 110.918 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.801 HD21 ' HB ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -86.74 147.99 25.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 2.07 110.616 179.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.541 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.6 m170 -96.14 121.87 38.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.133 -0.485 . . . . 1.71 111.321 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 143' ' ' LEU . 5.1 mp -114.52 105.28 12.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 2.51 110.985 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.68 114.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 1.83 111.205 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -131.78 136.85 47.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 2.43 110.963 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -106.29 152.97 22.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.945 0.403 . . . . 3.95 110.794 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.452 HD21 ' HB3' ' A' ' 126' ' ' LYS . 52.8 t30 -68.71 117.12 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 2.19 111.169 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.481 HG21 ' HD2' ' A' ' 89' ' ' ARG . 80.8 p -79.33 -14.43 58.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.859 -0.61 . . . . 1.77 111.418 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.452 ' HB3' HD21 ' A' ' 124' ' ' ASN . 28.6 tptp -51.34 -35.86 40.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 3.65 111.154 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -78.08 -27.19 48.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 4.38 110.832 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.64 85.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 2.22 112.537 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -140.09 142.08 36.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.375 . . . . 3.07 110.82 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -73.45 -24.97 60.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 3.08 111.08 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.89 -21.98 78.87 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.921 -0.657 . . . . 2.36 112.185 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -83.92 -42.64 16.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 3.63 110.85 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.31 94.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.73 110.723 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.74 -22.4 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 2.3 111.246 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -72.47 -24.44 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 3.84 110.782 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -102.8 126.01 33.93 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 3.22 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.88 -29.86 88.93 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.49 2.127 . . . . 2.44 112.296 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -108.18 22.34 16.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 2.64 110.644 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -100.41 -16.05 28.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 1.49 112.519 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.6 pt? -134.27 133.65 41.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 1.76 110.801 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.67 149.25 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.98 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.68 118.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.397 . . . . 1.3 111.071 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 120' ' ' LEU . 52.1 mt -85.97 144.17 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 2.1 110.547 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 210' ' ' VAL . . . -134.05 117.28 1.81 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.645 -0.788 . . . . 1.4 112.719 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.801 ' HB ' HD21 ' A' ' 118' ' ' LEU . 10.8 mt -115.77 135.06 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 1.53 110.379 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.577 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 29.5 m-85 -69.51 152.88 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 4.48 110.95 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 118' ' ' LEU . 77.5 mt -137.76 71.96 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 3.25 110.633 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 115' ' ' ALA . 60.6 pttt -112.36 143.11 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 4.32 110.622 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 217' ' ' VAL . 11.7 m -56.34 122.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.279 -0.419 . . . . 3.13 111.431 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.9 153.03 18.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.592 . . . . 3.15 112.051 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.6 t 60.49 94.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 3.85 110.627 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.05 3.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 3.82 111.458 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 157' ' ' GLN . 25.5 ttpp -59.09 116.77 17.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.84 -0.618 . . . . 5.19 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -61.18 -18.03 55.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.49 2.127 . . . . 3.09 112.236 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.477 ' H ' ' HG2' ' A' ' 153' ' ' LYS . . . 122.33 61.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.921 -0.657 . . . . 2.71 112.291 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.3 tp -145.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 3.94 110.682 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.505 ' HB3' ' HE2' ' A' ' 153' ' ' LYS . 10.8 pt20 -62.36 -31.74 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 3.55 111.351 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.63 -36.22 56.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 4.82 111.291 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.55 -27.76 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 3.12 111.282 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.485 HG12 HD23 ' A' ' 163' ' ' LEU . 62.0 t -66.15 -24.78 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 3.14 111.189 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.85 -19.34 28.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 3.01 111.356 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.8 -17.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 2.46 111.718 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.485 HD23 HG12 ' A' ' 160' ' ' VAL . 4.0 pp -61.57 -24.67 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 2.31 111.021 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.56 -12.57 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.495 . . . . 2.42 110.9 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.0 m -65.89 -26.15 67.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 1.85 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.446 ' HB ' HD21 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -125.66 48.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 2.44 110.547 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -52.03 -47.21 65.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.73 -0.668 . . . . 3.75 111.322 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.0 p -117.69 149.41 40.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 2.36 111.279 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -79.17 146.21 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.507 . . . . 3.46 110.654 179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 105.99 -17.03 42.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.871 -0.681 . . . . 2.2 112.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -109.59 149.69 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 3.33 110.857 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.456 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . 86.6 p -103.58 165.04 11.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 2.27 110.86 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -152.9 140.24 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.89 111.099 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.0 129.46 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 3.74 110.762 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -139.93 109.25 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 4.47 111.044 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 8.9 t -136.46 179.6 6.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.04 -0.527 . . . . 4.59 110.931 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 62.73 57.17 1.81 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.962 0.41 . . . . 6.35 111.255 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 70.8 t80 -90.92 145.24 24.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 4.67 110.571 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.04 81.28 4.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 3.92 111.092 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -78.57 -10.1 15.92 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.53 2.153 . . . . 4.59 112.36 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.95 -20.07 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 8.64 110.818 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -90.6 -31.36 10.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 3.43 112.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.67 18.53 11.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.539 0.209 . . . . 5.71 111.294 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.25 139.51 91.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.662 -0.244 . . . . 4.53 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.32 131.8 6.77 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.521 2.147 . . . . 3.71 112.324 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.92 -7.4 59.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 6.38 110.906 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.0 m 59.94 32.02 20.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 5.07 110.932 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 188' ' ' LEU . 2.6 pt? -57.21 -30.46 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 4.32 111.125 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.556 ' HA ' ' HA ' ' A' ' 259' ' ' PHE . 3.3 p30 -150.82 149.46 29.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.444 -0.344 . . . . 3.78 110.964 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -140.5 140.35 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 3.36 110.728 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 257' ' ' ALA . 28.2 m95 -133.18 142.16 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 4.16 110.455 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 257' ' ' ALA . 8.8 t -153.16 139.9 18.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.859 0.361 . . . . 1.5 111.453 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -158.38 73.11 3.87 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 2.91 110.704 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.484 ' HA ' HG23 ' A' ' 207' ' ' THR . 10.9 Cg_endo -54.06 147.93 41.6 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.869 2.379 . . . . 1.48 112.836 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 174.3 -119.4 0.73 Allowed Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.87 -0.681 . . . . 1.64 112.298 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.564 ' HA ' HG23 ' A' ' 206' ' ' VAL . 85.3 p -155.66 -172.63 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.651 0.262 . . . . 2.75 110.699 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.573 ' HG ' HG21 ' A' ' 206' ' ' VAL . 86.5 mt -67.3 -175.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.521 -0.309 . . . . 5.98 110.872 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . 0.589 HG23 HG22 ' A' ' 199' ' ' THR . 5.8 t -54.05 -27.26 31.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.974 0.416 . . . . 5.3 110.766 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 198' ' ' THR . 2.4 t -142.62 118.47 6.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 4.96 110.768 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.7 123.64 13.06 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.077 1.851 . . . . 5.64 111.979 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.44 -41.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.451 2.101 . . . . 6.0 111.829 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 28.5 tp -171.09 -53.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.793 -0.64 . . . . 5.41 110.435 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.09 158.7 22.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.891 -0.595 . . . . 5.02 111.098 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -98.84 41.66 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 3.98 109.898 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -68.82 -2.06 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.738 -0.664 . . . . 2.48 111.089 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . 0.573 HG21 ' HG ' ' A' ' 197' ' ' LEU . 2.7 m -112.43 111.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 1.8 111.06 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.484 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.8 m -112.97 130.05 56.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 1.27 110.813 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -109.69 111.89 23.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 2.43 110.741 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 209' ' ' ILE . 0.1 OUTLIER -130.85 134.96 61.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 1.45 110.88 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 35.9 t -76.09 106.89 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 2.12 111.29 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.496 ' HB3' HG12 ' A' ' 145' ' ' ILE . 29.0 tp -62.76 161.63 12.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 3.85 110.625 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -77.5 -6.82 54.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 5.85 111.818 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 14.4 mm-40 -58.07 154.62 28.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.625 0.25 . . . . 5.91 111.147 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 164.22 33.58 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.708 2.272 . . . . 3.58 112.579 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' A' ' 146' ' ' PHE . 47.8 pt -84.54 171.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.545 . . . . 4.42 111.246 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 36.9 t -58.3 173.04 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 3.53 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 149' ' ' VAL . 33.4 m -99.48 173.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.142 -0.481 . . . . 2.45 111.13 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 69.5 m -62.43 161.5 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 3.39 111.233 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 80.2 p -63.42 -13.32 38.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 2.82 110.79 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.83 -43.18 90.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 4.51 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.31 -19.8 42.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 3.92 110.422 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.92 -17.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 2.44 110.398 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.55 -20.08 59.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 2.8 110.371 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 224' ' ' LYS . 3.0 mptp? -85.43 -27.75 25.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 3.78 111.007 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.72 11.75 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 3.33 111.191 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -74.88 -26.95 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 4.82 111.233 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' A' ' 163' ' ' LEU . 7.9 ptpp? -69.1 -4.97 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 3.25 111.16 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 87.3 mt -75.62 160.4 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 2.93 110.62 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -95.95 164.34 12.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 2.92 111.058 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 47.3 p90 -97.63 3.56 50.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.946 -0.57 . . . . 5.3 110.925 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -161.84 -51.77 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 4.3 111.045 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 177.61 -177.71 48.34 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.569 -0.824 . . . . 4.09 112.722 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.26 157.24 6.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.903 0.382 . . . . 7.57 110.983 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 85.98 -0.71 87.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.819 -0.705 . . . . 6.31 112.091 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -107.03 148.97 37.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.361 0.124 . . . . 5.7 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.65 162.45 6.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.428 2.085 . . . . 6.54 112.068 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.63 87.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 6.78 110.873 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -142.66 115.61 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 5.03 110.83 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? -59.25 143.97 47.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 5.11 110.904 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.403 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 53.8 ttp -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.228 -0.442 . . . . 5.21 110.62 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 17.2 m -141.41 -178.8 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 3.44 111.511 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 63.56 35.83 11.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.835 -0.62 . . . . 3.67 110.895 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.519 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 18.5 m120 -100.84 55.33 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 3.74 111.154 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -110.87 137.75 48.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 3.25 110.741 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -135.44 97.5 13.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 3.78 111.351 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.88 138.31 62.48 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.602 2.201 . . . . 2.43 111.959 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . 0.478 ' HA ' ' HB ' ' A' ' 198' ' ' THR . . . -167.16 40.13 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.341 -0.391 . . . . 3.18 111.383 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 57.1 tp60 -90.46 117.36 67.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.476 -0.329 . . . . 5.35 111.247 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.611 ' HG2' HD22 ' A' ' 252' ' ' ASN . 86.8 Cg_endo -78.45 140.9 17.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.523 2.149 . . . . 4.02 112.448 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 37.7 tp -79.94 -8.61 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 3.94 110.638 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -58.69 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.536 . . . . 6.83 111.489 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . 0.611 HD22 ' HG2' ' A' ' 249' ' ' PRO . 10.2 p30 -59.29 147.81 34.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 5.02 111.044 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -140.19 -58.14 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.021 -0.536 . . . . 5.82 110.683 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -105.94 117.37 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 3.22 110.478 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.499 HG22 ' H ' ' A' ' 257' ' ' ALA . 19.2 mm -64.01 145.61 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 2.02 111.033 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -93.44 19.2 8.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 2.91 111.261 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 40' ' ' TYR . . . -164.44 167.69 19.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 1.46 111.326 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 40' ' ' TYR . 50.2 m -158.23 -49.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.914 -0.584 . . . . 2.32 110.648 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 189' ' ' ASP . 97.3 m-85 -132.72 175.67 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.944 -0.571 . . . . 3.3 110.889 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 54.4 tptt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.137 -0.935 . . . . 4.59 110.933 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.442 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.89 0.376 . . . . 32.91 110.709 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -142.2 -12.34 0.83 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 30.03 110.903 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -147.45 154.41 40.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 29.61 111.038 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -160.08 146.68 15.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.531 . . . . 26.81 110.914 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -134.07 151.82 51.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 25.62 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.93 -66.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.921 -0.657 . . . . 23.39 112.278 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -140.43 -179.75 6.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.72 0.295 . . . . 23.38 110.609 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.15 35.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.679 -0.772 . . . . 19.99 112.566 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -72.26 -40.98 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.893 0.377 . . . . 19.34 110.634 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -67.74 -23.06 65.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 18.14 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.46 -7.67 46.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 18.74 110.992 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.72 -168.0 39.46 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.781 -0.723 . . . . 16.42 112.623 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.06 150.69 87.92 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.626 2.217 . . . . 15.7 112.447 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -142.35 83.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 15.32 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -145.49 54.23 1.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.208 -0.451 . . . . 15.63 111.063 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -64.28 -12.29 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.518 . . . . 11.72 110.788 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -82.1 -32.53 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 12.77 111.017 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.89 20.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 15.94 111.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -112.8 -62.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 12.96 110.542 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 22' ' ' ILE . 10.2 p90 -139.76 143.7 35.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 10.55 110.8 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HG2' ' SG ' ' A' ' 205' ' ' CYS . 73.3 Cg_endo -75.56 2.46 6.88 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.529 2.153 . . . . 9.69 112.149 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.62 HG13 ' H ' ' A' ' 204' ' ' GLU . 1.7 mp -65.92 -39.26 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 8.17 110.332 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.28 64.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 9.4 110.643 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -92.1 -12.93 31.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.032 -0.531 . . . . 13.28 110.711 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 113.82 6.23 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.738 -0.744 . . . . 8.88 112.185 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -132.33 25.26 4.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.92 0.391 . . . . 8.92 110.786 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -110.09 7.97 23.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.058 -0.519 . . . . 9.6 110.639 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 198' ' ' THR . 3.6 pt20 -72.13 95.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.916 -0.584 . . . . 6.33 111.059 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.8 m -162.49 78.64 1.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 3.57 110.831 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.32 128.91 30.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.471 2.114 . . . . 2.88 111.977 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.1 p -123.99 176.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 2.26 110.938 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' VAL . 14.7 m-20 -82.27 98.73 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 2.44 110.136 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.2 mp -60.18 118.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 1.53 111.287 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.8 m-20 -108.3 129.34 55.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.51 110.829 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 m -79.82 -23.46 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.809 -0.632 . . . . 1.95 111.143 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -79.27 -36.58 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 3.43 111.163 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 34' ' ' ASP . 5.5 t -76.61 -22.03 54.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 1.73 110.999 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HA ' HE22 ' A' ' 254' ' ' GLN . . . -55.26 149.08 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 1.29 111.016 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -125.22 143.7 50.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 3.53 110.84 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.478 ' N ' ' HA ' ' A' ' 260' ' ' LYS . 40.4 p90 -69.59 131.99 45.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 4.17 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -129.98 90.81 41.44 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.371 -0.377 . . . . 3.04 111.082 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -84.33 44.09 1.46 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.534 2.156 . . . . 2.3 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -85.77 -43.05 13.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 3.07 111.045 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 mt -136.92 114.92 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 3.08 110.985 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -100.22 140.42 21.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 4.28 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.85 125.86 17.02 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.486 2.124 . . . . 2.41 112.048 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HB3' ' HA2' ' A' ' 81' ' ' GLY . 52.4 tp -80.61 -61.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 5.24 111.291 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -134.52 148.53 50.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 2.67 111.295 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.6 t -146.06 113.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.012 -0.54 . . . . 2.44 110.795 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 t -107.14 111.11 23.39 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.479 -0.328 . . . . 2.58 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 81.7 m-85 60.66 113.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.025 0.44 . . . . 4.87 111.296 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.68 -9.91 59.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 4.17 110.806 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -147.35 126.29 12.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 4.62 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.1 158.33 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 1.97 111.018 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -90.37 141.89 28.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 1.9 111.088 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 99.4 p -99.69 159.63 14.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 1.87 111.038 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -124.79 -39.24 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 3.58 111.282 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -165.64 146.59 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 4.62 110.884 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.6 mp -109.88 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 1.72 110.78 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.2 tp -112.01 150.57 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 2.58 110.962 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.88 162.91 15.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.184 -0.462 . . . . 1.94 111.026 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.463 HD21 ' HB3' ' A' ' 65' ' ' ALA . 32.2 p30 -106.63 12.18 29.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 3.13 111.294 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.24 26.93 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.601 -0.809 . . . . 2.64 112.571 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' N ' ' HG2' ' A' ' 169' ' ' LYS . 78.2 t60 -176.72 -54.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 4.34 110.582 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB3' HD21 ' A' ' 62' ' ' ASN . . . -89.97 162.25 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.997 -0.547 . . . . 2.12 110.711 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -140.56 133.87 29.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 3.39 111.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -133.36 153.27 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 2.57 110.267 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.597 HG21 ' CE1' ' A' ' 93' ' ' PHE . 1.9 t -97.0 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 1.95 111.334 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -70.48 141.5 52.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 3.84 111.123 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.34 152.51 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 4.12 110.674 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.46 146.6 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 3.04 111.007 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.79 26.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 3.88 111.098 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.5 t -88.49 -44.89 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 3.2 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 76' ' ' LYS . 23.6 pt20 -168.93 -174.72 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 4.06 111.119 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.14 -18.53 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 2.84 110.717 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 74' ' ' GLN . 73.7 mmtt 64.56 -81.65 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.692 -0.686 . . . . 3.26 111.717 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 51' ' ' TYR . . . -111.9 120.31 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 1.42 111.844 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.99 136.33 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 1.72 110.507 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 90' ' ' LEU . 7.2 mp -118.14 131.23 56.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.102 0.477 . . . . 2.3 111.656 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HA ' HD23 ' A' ' 84' ' ' LEU . 53.4 pttt -159.69 128.93 5.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.802 -0.636 . . . . 2.67 110.542 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . -170.71 -154.84 9.88 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.224 -0.989 . . . . 2.5 113.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.49 -63.08 2.29 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.994 -0.622 . . . . 2.63 113.015 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.92 -11.62 10.22 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.546 2.164 . . . . 4.13 112.402 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 80' ' ' LYS . 14.3 tp -91.8 150.3 21.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 3.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -83.64 12.64 5.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 5.04 111.665 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.75 -141.01 8.46 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.498 -0.858 . . . . 1.92 112.835 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.5 m -119.82 116.1 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.803 0.335 . . . . 1.68 110.962 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.443 ' HB3' ' ND1' ' A' ' 122' ' ' HIS . 71.0 m-85 -112.45 128.69 56.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.295 -0.411 . . . . 3.43 110.887 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -103.53 124.84 49.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 3.79 111.268 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 122' ' ' HIS . 4.7 mp -84.36 143.06 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.383 -0.372 . . . . 2.52 110.061 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -127.72 -45.04 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.565 0.58 . . . . 2.47 112.565 -179.011 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' N ' HG12 ' A' ' 91' ' ' ILE . 13.9 pt20 -151.23 161.91 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 2.41 111.691 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.736 ' HB3' HD13 ' A' ' 120' ' ' LEU . 10.2 p90 -142.79 174.99 10.16 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.993 -0.548 . . . . 1.57 110.502 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -145.83 169.41 18.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 1.29 111.004 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -109.97 148.95 30.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.313 -0.403 . . . . 3.19 110.913 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -110.87 123.96 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.058 -0.519 . . . . 1.68 110.68 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.566 ' H ' HD22 ' A' ' 243' ' ' ASN . 16.6 m0 -122.04 120.4 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.707 0.289 . . . . 5.75 110.765 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.0 -176.24 17.42 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.704 -0.76 . . . . 3.04 112.465 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -82.75 -25.79 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 4.29 110.963 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.18 146.19 24.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 5.2 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.45 16.67 5.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.182 -0.463 . . . . 5.33 111.014 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -119.57 -40.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 4.18 112.355 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -163.33 162.02 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 4.67 111.029 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.465 ' HA2' ' HD3' ' A' ' 113' ' ' LYS . . . 136.57 75.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.817 -0.706 . . . . 1.95 112.575 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.7 p -87.68 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 2.04 110.656 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 179.55 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.906 -0.588 . . . . 2.64 110.213 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -105.1 166.76 10.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.025 -0.534 . . . . 2.11 109.973 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.492 HG22 ' HB2' ' A' ' 113' ' ' LYS . 63.8 p -112.12 119.17 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.381 . . . . 1.88 111.598 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.55 135.24 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 2.24 110.372 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.9 t70 53.61 40.48 31.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.072 0.463 . . . . 2.18 110.11 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 58.7 25.2 13.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.824 -0.626 . . . . 3.37 111.306 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -129.54 150.0 51.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 3.86 111.082 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HB2' HG22 ' A' ' 108' ' ' THR . 22.5 ttmm -127.3 150.87 49.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 2.57 110.788 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -113.96 175.44 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 2.18 110.685 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.64 -47.43 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.72 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.08 162.47 35.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.574 . . . . 1.55 110.719 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.57 152.54 31.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 2.4 111.129 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 85.3 mt -86.42 148.12 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 2.07 110.747 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -132.13 95.52 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 1.71 110.738 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 93' ' ' PHE . 4.2 mm? -79.34 122.13 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 2.51 110.781 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.82 114.44 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 1.83 111.086 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.502 ' HB3' ' HA ' ' A' ' 90' ' ' LEU . 19.1 p80 -131.85 -178.28 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.036 -0.529 . . . . 2.43 110.573 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -174.23 152.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.905 0.383 . . . . 3.95 110.925 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.2 124.79 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.837 -0.619 . . . . 2.19 110.923 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.2 t -71.49 -14.52 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.641 . . . . 1.77 110.903 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -58.47 -25.69 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 3.65 110.879 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.05 -27.91 27.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 4.38 110.805 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.85 -30.66 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.858 -0.687 . . . . 2.22 112.553 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -153.66 151.56 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 3.07 110.837 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -63.67 -19.66 65.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 3.08 111.199 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.79 -42.63 99.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 2.36 112.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.34 -17.36 30.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 3.63 110.511 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.32 69.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 1.73 111.161 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.85 -6.87 2.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 2.3 111.438 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -72.3 -12.25 61.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 3.84 110.708 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.431 ' HG3' ' HD2' ' A' ' 137' ' ' PRO . 33.5 tt0 -132.01 139.91 36.5 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.135 -0.484 . . . . 3.22 110.98 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.431 ' HD2' ' HG3' ' A' ' 136' ' ' GLN . 51.1 Cg_exo -52.69 -51.77 10.37 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.27 1.98 . . . . 2.44 112.118 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -90.33 15.47 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 2.64 110.648 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.56 -47.12 92.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.053 -0.594 . . . . 1.49 112.811 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -127.39 133.52 50.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 1.76 111.169 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.56 157.03 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.98 110.815 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.75 130.89 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 1.3 111.455 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.511 HD11 ' HG ' ' A' ' 211' ' ' LEU . 54.5 tp -85.77 131.24 34.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 2.1 110.433 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -109.96 129.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.622 -0.799 . . . . 1.4 113.013 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 64.0 mt -122.81 132.87 70.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.689 0.28 . . . . 1.53 110.421 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.69 116.68 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 4.48 111.218 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.473 HD11 ' HG ' ' A' ' 118' ' ' LEU . 84.5 mt -84.77 143.15 29.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 3.25 110.685 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.427 ' H ' ' HA ' ' A' ' 216' ' ' SER . 61.2 tttp -112.49 134.6 53.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 4.32 110.719 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 133.17 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.403 . . . . 3.13 111.211 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 145.6 53.68 0.02 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.484 -0.865 . . . . 3.15 113.049 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 45.3 t 57.21 94.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.887 0.375 . . . . 3.85 111.39 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -82.87 -73.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 3.82 111.235 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -111.49 154.41 43.82 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.269 -0.423 . . . . 5.19 111.097 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.71 -0.1 8.61 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.531 2.154 . . . . 3.09 111.887 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -119.5 23.65 8.37 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.959 -0.638 . . . . 2.71 112.299 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 221' ' ' GLN . 2.5 pt? -56.52 -15.03 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.708 0.289 . . . . 3.94 111.405 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -54.37 -40.57 68.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 3.55 111.433 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -58.74 -31.16 68.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 4.82 110.927 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 80.1 t -79.71 -29.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 3.12 111.223 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.53 -29.94 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 3.14 111.057 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -74.39 -33.4 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 3.01 110.728 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.415 HG21 ' HB ' ' A' ' 176' ' ' THR . 38.8 t -61.86 -28.37 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.46 110.846 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 164' ' ' ASP . 0.3 OUTLIER -75.93 -41.97 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 2.31 111.21 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.432 ' N ' HD23 ' A' ' 163' ' ' LEU . 30.3 t70 -54.04 -17.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 2.42 110.68 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 51.5 m -85.84 -43.34 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 1.85 110.687 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 173' ' ' ALA . 8.6 pt -96.36 43.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 2.44 111.537 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.75 -43.62 94.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 3.75 110.682 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 39.3 p -129.85 158.61 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 2.36 111.117 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -63.65 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 3.46 110.998 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.36 -20.98 20.39 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.828 -0.701 . . . . 2.2 112.819 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -109.19 141.54 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 3.33 110.995 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 89.1 p -101.3 149.89 23.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 2.27 111.093 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 166' ' ' ILE . . . -105.51 176.75 5.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.964 -0.562 . . . . 1.89 110.918 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.81 157.65 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 3.74 111.045 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -52.22 137.29 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 4.47 111.082 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 162' ' ' VAL . 15.4 t -141.65 -172.95 3.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 4.59 110.727 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 54.98 52.74 11.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.446 -0.343 . . . . 6.35 111.008 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -109.0 109.46 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 4.67 110.76 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -152.27 85.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 3.92 111.061 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.32 -8.74 15.36 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.452 2.101 . . . . 4.59 112.162 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -74.52 -26.23 59.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 8.64 110.72 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -81.88 3.68 78.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 3.43 112.837 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.51 11.06 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 5.71 110.943 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 185' ' ' PRO . 33.0 tp -82.79 123.65 77.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 4.53 110.744 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.587 ' HD2' HD12 ' A' ' 184' ' ' LEU . 57.8 Cg_endo -71.23 131.14 18.63 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.233 1.956 . . . . 3.71 112.169 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.55 -7.37 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 6.38 111.14 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 56.0 m 59.18 21.98 10.12 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.072 -0.513 . . . . 5.07 111.16 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.43 ' H ' ' HD2' ' A' ' 212' ' ' LYS . 22.3 tp -83.51 155.04 23.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 4.32 110.697 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 259' ' ' PHE . 11.2 m-20 -92.25 150.35 20.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.776 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.44 ' N ' ' HB3' ' A' ' 258' ' ' SER . 50.7 p90 -169.68 145.1 3.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 3.36 110.907 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.478 ' HB2' ' N ' ' A' ' 258' ' ' SER . 0.1 OUTLIER -126.19 175.99 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 4.16 110.406 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.9 t -118.88 142.86 47.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 1.5 111.426 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -115.9 103.46 53.5 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 2.91 110.672 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 207' ' ' THR . 56.1 Cg_endo -68.48 131.17 22.49 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.407 2.071 . . . . 1.48 112.262 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.36 -148.81 5.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.647 -0.787 . . . . 1.64 112.739 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 58.4 p -156.5 147.93 22.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 2.75 110.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 91.8 mt -75.97 165.14 25.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.943 0.401 . . . . 5.98 111.274 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . 0.448 ' HA ' HE21 ' A' ' 28' ' ' GLN . 2.1 m -88.18 23.52 2.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 5.3 110.368 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 67.7 p -89.46 160.43 42.1 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 4.96 111.01 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 1.1 Cg_endo -43.29 154.68 0.17 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.874 2.383 . . . . 5.64 112.506 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -60.77 96.08 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.669 2.246 . . . . 6.0 112.423 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.465 ' HB3' HD23 ' A' ' 203' ' ' LEU . 61.1 tp -172.66 -32.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 5.41 111.08 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 202' ' ' LEU . 0.4 OUTLIER -132.76 68.14 1.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 5.02 110.975 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.62 ' H ' HG13 ' A' ' 22' ' ' ILE . 49.1 mt-10 -106.31 16.79 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.079 -0.51 . . . . 3.98 110.814 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . 0.42 ' SG ' ' HG2' ' A' ' 21' ' ' PRO . 72.0 m -106.51 41.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 2.48 109.987 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.12 129.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 1.8 111.469 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 194' ' ' PRO . 18.1 m -111.94 146.04 38.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.419 . . . . 1.27 110.637 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -107.94 126.14 52.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.949 0.404 . . . . 2.43 111.285 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.7 mp -124.55 146.78 29.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.94 -0.573 . . . . 1.45 110.855 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.25 131.55 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 2.12 111.133 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 143' ' ' LEU . 75.7 mt -79.96 170.31 16.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 3.85 110.917 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 188' ' ' LEU . 37.0 mtmm -65.25 -54.26 31.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 5.85 110.8 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -142.08 97.76 6.3 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 5.91 111.045 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.05 139.55 56.5 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.613 2.209 . . . . 3.58 112.156 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 36.2 pt -68.11 167.42 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 4.42 111.066 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . 0.427 ' HA ' ' H ' ' A' ' 148' ' ' LYS . 80.4 p -127.12 165.03 20.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 3.53 111.21 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.84 173.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.45 110.96 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 41.8 t -106.01 148.24 27.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 3.39 111.134 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 84.9 p -65.41 -25.79 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 2.82 110.116 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -80.99 -29.67 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.828 -0.624 . . . . 4.51 110.304 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 156' ' ' LEU . 26.7 tt0 -68.99 -44.47 72.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.939 -0.573 . . . . 3.92 110.483 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.5 -0.6 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 2.44 111.192 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.11 -30.3 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 2.8 110.741 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -86.5 -19.35 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.0 -0.545 . . . . 3.78 111.214 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -72.21 -7.01 46.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 3.33 111.346 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -90.23 -8.8 50.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.375 . . . . 4.82 111.048 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.46 -25.17 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.326 -0.397 . . . . 3.25 111.73 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.57 162.07 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 2.93 111.136 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -87.74 159.69 18.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.908 -0.587 . . . . 2.92 110.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -101.91 3.32 39.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 5.3 111.117 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' HIS . 26.7 t-20 -152.16 -17.65 0.18 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.468 -0.333 . . . . 4.3 111.345 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 116.47 -178.04 17.15 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.787 -0.721 . . . . 4.09 112.912 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.55 149.74 10.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.829 0.347 . . . . 7.57 111.08 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 96.93 -15.81 62.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.914 -0.66 . . . . 6.31 111.897 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.04 144.65 31.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.739 -0.23 . . . . 5.7 110.485 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -55.95 121.61 10.29 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.405 2.07 . . . . 6.54 111.897 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -49.09 111.6 0.5 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.283 -0.417 . . . . 6.78 111.161 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -158.5 134.35 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 5.03 110.879 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 239' ' ' LEU . 2.6 pt? -62.56 143.12 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 5.11 110.706 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . . . . . . . . . 27.2 ttt -60.46 119.17 7.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 5.21 110.668 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.42 HG23 ' OD1' ' A' ' 242' ' ' ASP . 35.0 m -106.44 -172.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 3.44 111.446 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 241' ' ' VAL . 12.1 m-20 63.93 30.0 14.33 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.092 -0.504 . . . . 3.67 110.523 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.566 HD22 ' H ' ' A' ' 97' ' ' TRP . 63.0 m-20 -104.61 52.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.811 -0.631 . . . . 3.74 110.791 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -143.96 160.91 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 3.25 110.951 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -130.99 152.91 81.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.009 -0.542 . . . . 3.78 110.829 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.37 170.8 16.45 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.465 2.11 . . . . 2.43 112.534 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -154.79 36.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.579 . . . . 3.18 110.603 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.53 119.42 50.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 5.35 110.844 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.52 ' HA ' HG23 ' A' ' 31' ' ' VAL . 72.9 Cg_endo -76.47 128.93 10.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.297 1.998 . . . . 4.02 112.391 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 33.1 tp -78.28 -44.25 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 3.94 110.481 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -148.48 -57.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.648 -0.705 . . . . 6.83 110.552 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.38 -59.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 5.02 110.582 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 62.44 117.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.96 -0.564 . . . . 5.82 111.445 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . 0.561 HE22 ' HA ' ' A' ' 38' ' ' ALA . 49.9 tp60 -104.52 145.79 29.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.579 . . . . 3.22 110.779 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 8.5 tp -97.54 139.78 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 2.02 110.839 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.41 99.64 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 2.91 111.162 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -126.2 148.54 49.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 1.46 110.77 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 191' ' ' TRP . 41.5 t -71.79 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 2.32 110.756 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 189' ' ' ASP . 87.7 t80 -112.11 144.82 40.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.3 110.65 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . 0.478 ' HA ' ' N ' ' A' ' 40' ' ' TYR . 61.4 tttm . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.228 -0.892 . . . . 4.59 110.796 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.433 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptm . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.755 0.312 . . . . 32.91 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -82.33 146.23 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 30.03 110.91 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -145.01 17.19 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 29.61 110.965 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -149.19 30.62 0.77 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 26.81 111.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -146.43 124.56 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 25.62 110.801 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.33 -18.75 9.74 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.7 -0.762 . . . . 23.39 112.488 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -73.57 -22.87 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 23.38 110.641 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.98 -16.02 2.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.724 . . . . 19.99 112.653 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -70.08 -38.03 75.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.967 0.413 . . . . 19.34 110.791 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -88.13 -17.56 30.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 18.14 110.813 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -92.7 -13.54 29.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 18.74 110.736 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.13 154.97 17.88 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.74 -0.743 . . . . 16.42 112.38 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.0 153.76 63.11 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.632 2.221 . . . . 15.7 112.393 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.44 122.99 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 15.32 110.834 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -103.41 4.25 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 15.63 111.122 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 31.9 m-90 -73.32 -21.61 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.382 . . . . 11.72 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -62.03 -26.71 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 12.77 110.796 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -85.84 -19.6 30.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 15.94 111.069 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 12.96 110.967 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -115.8 149.84 43.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 10.55 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -78.88 26.71 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.474 2.116 . . . . 9.69 112.752 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.6 tp -70.19 -29.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.976 0.417 . . . . 8.17 110.78 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.06 -28.37 39.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 9.4 110.552 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.19 5.15 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.774 -0.648 . . . . 13.28 110.319 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.02 -164.06 28.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 8.88 112.673 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 10.2 pt-20 -159.14 -167.56 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.654 0.264 . . . . 8.92 110.82 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 98.7 mtt180 65.17 21.98 12.18 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.103 -0.499 . . . . 9.6 110.111 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 28' ' ' GLN . 2.5 pp0? -83.73 20.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.615 -0.721 . . . . 6.33 111.068 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -160.71 153.88 18.19 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 3.57 111.18 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.85 131.36 25.45 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.697 2.265 . . . . 2.88 112.156 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 249' ' ' PRO . 22.2 t -128.54 164.78 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 2.26 110.537 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' HG12 ' A' ' 31' ' ' VAL . 47.3 m-20 -87.26 98.81 11.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.779 0.323 . . . . 2.44 110.527 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 31' ' ' VAL . 5.3 mp -85.67 142.56 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 1.53 110.917 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' HG22 ' A' ' 37' ' ' THR . 15.4 m-20 -108.84 129.78 55.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 1.51 111.104 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.2 m -71.65 -25.29 62.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.818 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -68.17 -40.83 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 3.43 111.084 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.2 t -79.12 -21.15 47.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.73 110.996 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.43 151.35 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 1.29 110.674 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -141.58 131.18 23.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 3.53 111.451 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -107.02 125.31 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.958 -0.565 . . . . 4.17 110.59 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -122.87 131.41 24.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 3.04 110.824 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -78.73 41.29 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.453 2.102 . . . . 2.3 112.486 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -83.95 -41.51 17.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 3.07 110.958 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD21 ' HD3' ' A' ' 83' ' ' PRO . 1.4 tt -104.74 132.82 50.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 3.08 110.855 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 44' ' ' LEU . 60.3 pttt -60.31 152.47 63.62 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 4.28 110.921 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 125.86 12.09 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.498 2.132 . . . . 2.41 112.037 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 84' ' ' LEU . 2.6 mt -55.24 132.71 48.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 5.24 110.685 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.6 t -92.89 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 2.67 110.949 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.8 t -146.21 143.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.311 -0.404 . . . . 2.44 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -110.18 142.8 41.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.471 . . . . 2.58 110.474 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -168.82 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 4.87 110.828 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.52 -24.92 22.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.961 -0.563 . . . . 4.17 110.366 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -102.19 1.01 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 4.62 110.883 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -51.36 120.54 5.16 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.264 -0.426 . . . . 1.97 111.212 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -143.34 132.18 22.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 1.9 111.291 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.3 p -89.88 167.75 12.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.574 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.7 tp -120.98 -39.29 2.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.372 -0.377 . . . . 3.58 111.662 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 175' ' ' PHE . 16.3 ptp180 -174.69 171.45 3.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 4.62 111.465 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.46 HG12 HG12 ' A' ' 68' ' ' VAL . 55.7 mt -131.76 105.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.703 -0.681 . . . . 1.72 110.555 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.1 mt -95.95 157.99 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 2.58 111.521 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -132.97 154.97 49.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.603 . . . . 1.94 110.728 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.93 23.48 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 3.13 111.435 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.5 10.52 75.53 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.625 -0.798 . . . . 2.64 112.543 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -149.42 -59.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 4.34 110.609 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -109.87 161.03 15.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 2.12 110.788 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -125.65 133.82 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 3.39 111.218 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -133.43 151.5 51.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 2.57 110.666 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' PHE . 14.6 m -117.55 139.79 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 1.95 111.079 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.19 153.14 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.92 0.391 . . . . 3.84 111.426 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -108.73 165.21 11.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.995 -0.548 . . . . 4.12 110.779 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.26 126.3 28.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 3.04 110.695 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -90.69 5.69 47.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 3.88 110.575 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.3 m -59.76 -32.06 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 3.2 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -157.18 147.96 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 4.06 110.788 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.56 86.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.607 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 29.9 mmtp -62.92 -72.43 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 3.26 111.064 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.39 135.18 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.42 111.096 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -135.25 151.43 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 1.72 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mp -116.25 127.11 54.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.872 0.368 . . . . 2.3 111.368 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -159.34 128.42 5.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.043 -0.526 . . . . 2.67 110.228 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -146.07 -121.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.278 -0.963 . . . . 2.5 113.366 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.74 -80.0 1.42 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.739 -0.743 . . . . 2.63 113.303 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HD3' HD21 ' A' ' 44' ' ' LEU . 39.6 Cg_endo -65.93 -1.78 5.66 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.764 2.309 . . . . 4.13 112.818 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 47' ' ' LEU . 8.0 mp -64.71 134.16 53.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.317 . . . . 3.0 110.81 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.84 -12.88 40.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 5.04 111.228 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.63 -127.51 1.75 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.578 -0.82 . . . . 1.92 112.784 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 t -112.23 130.49 55.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 1.68 111.384 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.09 134.67 54.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 3.43 110.732 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -103.44 152.89 21.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 3.79 111.09 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' HG ' ' NE2' ' A' ' 122' ' ' HIS . 6.5 mp -89.45 139.69 30.27 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.153 -0.476 . . . . 2.52 110.757 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.9 mp -114.01 -80.72 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.323 -0.399 . . . . 2.47 111.436 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -153.16 163.94 38.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.566 0.222 . . . . 2.41 110.868 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' O ' HG22 ' A' ' 68' ' ' VAL . 45.3 p90 -157.42 156.21 31.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 1.57 111.626 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 5.6 p-80 -130.78 167.89 18.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.532 -0.758 . . . . 1.29 110.322 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -112.54 144.78 41.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.309 . . . . 3.19 111.112 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -94.92 173.18 7.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.287 -0.415 . . . . 1.68 110.52 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.571 ' H ' ' HB2' ' A' ' 243' ' ' ASN . 93.2 m95 -133.05 166.31 22.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.831 0.348 . . . . 5.75 111.102 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.14 129.93 2.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.02 -0.609 . . . . 3.04 112.511 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.8 t -76.15 -34.79 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 4.29 111.025 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 103' ' ' GLN . 47.8 mt -103.37 141.89 35.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 5.2 111.069 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.3 -0.06 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 5.33 110.687 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.5 -11.3 51.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.841 -0.695 . . . . 4.18 111.829 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 10.8 pt20 -144.94 171.63 14.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.603 0.24 . . . . 4.67 110.612 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.24 -44.2 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.482 -0.866 . . . . 1.95 112.874 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.7 m -96.06 -169.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 2.04 111.238 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -93.35 -79.36 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 2.64 111.123 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -71.02 163.71 27.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 2.11 110.768 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.466 HG22 ' HG3' ' A' ' 113' ' ' LYS . 29.6 p -133.09 149.43 52.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 1.88 111.527 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.84 145.72 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 2.24 110.767 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.9 t70 53.38 34.41 17.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.841 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 61.61 25.3 15.24 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.029 -0.532 . . . . 3.37 111.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -134.91 125.61 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.322 -0.399 . . . . 3.86 110.846 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 103' ' ' GLN . 4.4 ttmp? -88.89 147.18 24.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 2.57 110.83 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HD1' ' HB3' ' A' ' 148' ' ' LYS . 95.6 m-85 -77.04 166.02 23.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 2.18 111.063 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.73 -28.54 40.5 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.098 -0.501 . . . . 1.72 111.107 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -171.55 169.18 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 1.55 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HA ' ' HG ' ' A' ' 147' ' ' LEU . 53.6 tt0 -153.02 145.63 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 2.4 110.989 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.507 HD21 ' HB ' ' A' ' 145' ' ' ILE . 4.4 pp -86.88 147.55 25.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.742 0.306 . . . . 2.07 110.715 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.464 ' O ' ' HA ' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -110.67 95.01 5.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.71 111.087 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 121' ' ' VAL . 1.6 tt -107.46 129.73 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.997 -0.372 . . . . 2.51 109.997 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.526 ' N ' HD23 ' A' ' 120' ' ' LEU . 25.1 m -104.83 141.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 1.83 111.738 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' ND1' HD23 ' A' ' 143' ' ' LEU . 35.7 m80 -127.63 150.72 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 2.43 109.964 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -158.89 130.46 6.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.081 0.467 . . . . 3.95 111.232 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 126' ' ' LYS . 55.9 t30 -69.93 126.28 29.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.599 -0.728 . . . . 2.19 110.838 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 t -73.55 -15.06 61.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 1.77 111.818 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HB3' ' ND2' ' A' ' 124' ' ' ASN . 17.3 tppt? -57.84 -28.04 63.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 3.65 111.045 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -78.06 -25.64 47.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 4.38 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.9 -36.48 2.69 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.794 -0.717 . . . . 2.22 112.743 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -139.96 143.98 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 3.07 110.891 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 134' ' ' VAL . 47.3 p90 -64.74 -24.09 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.48 . . . . 3.08 110.96 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -68.91 -26.51 74.59 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.71 -0.757 . . . . 2.36 112.469 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -89.3 -32.96 17.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 3.63 110.771 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.73 111.62 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 130' ' ' PHE . 23.8 m -60.95 -17.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 2.3 111.434 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -72.13 -7.21 47.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 3.84 110.762 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -116.27 135.95 22.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.644 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.46 -26.97 83.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.474 2.116 . . . . 2.44 112.203 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.39 20.2 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 2.64 111.183 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.11 -77.95 0.17 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.676 -0.773 . . . . 1.49 112.548 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.699 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.4 pt? -102.33 148.25 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.704 0.288 . . . . 1.76 110.53 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.31 159.99 26.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.374 -0.376 . . . . 0.98 111.307 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 111.59 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.3 111.114 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.716 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.0 mm? -89.87 121.23 31.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 2.1 110.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.19 134.95 7.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 1.4 112.679 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.507 ' HB ' HD21 ' A' ' 118' ' ' LEU . 62.2 mt -108.32 117.48 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 1.53 110.852 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.33 96.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 4.48 111.056 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 216' ' ' SER . 74.7 mt -61.94 133.51 55.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 3.25 110.944 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.45 ' HB3' ' HD1' ' A' ' 114' ' ' TYR . 13.9 ptmm? -143.01 168.48 19.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.936 0.398 . . . . 4.32 111.281 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 218' ' ' SER . 92.7 t -79.08 116.41 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.947 -0.57 . . . . 3.13 110.885 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.87 -142.34 7.81 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.558 -0.829 . . . . 3.15 112.802 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m -96.53 -1.93 46.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 3.85 110.927 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 218' ' ' SER . . . 63.07 171.53 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.905 -0.588 . . . . 3.82 111.846 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.554 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 20.8 ttmm -112.61 127.47 26.81 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.814 -0.63 . . . . 5.19 110.921 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.75 -26.07 16.4 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.323 2.015 . . . . 3.09 112.3 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.13 10.25 65.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.815 -0.707 . . . . 2.71 112.533 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.554 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 39.3 tp -68.31 -5.68 19.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 3.94 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -53.58 -27.12 24.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.312 -0.404 . . . . 3.55 110.82 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -59.45 -39.07 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 4.82 110.365 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 96.7 t -79.89 -29.28 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.937 -0.574 . . . . 3.12 110.701 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.79 -36.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 3.14 110.816 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.31 -43.19 86.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.055 -0.521 . . . . 3.01 110.501 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.9 -31.75 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 2.46 110.679 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -35.51 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 2.31 111.188 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.29 -12.7 1.72 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.167 -0.47 . . . . 2.42 110.866 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.3 t -92.1 -34.08 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 1.85 111.278 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 166' ' ' ILE . 4.1 mp -100.13 51.26 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.22 0.534 . . . . 2.44 110.722 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.65 -47.48 39.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 3.75 110.828 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 62.2 p -104.71 147.34 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 2.36 111.18 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.439 ' HB2' ' NZ ' ' A' ' 169' ' ' LYS . 0.1 OUTLIER -80.57 147.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 3.46 110.61 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.37 27.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.843 -0.694 . . . . 2.2 112.377 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.84 174.83 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 3.33 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 54.0 m -126.74 163.68 22.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 2.27 110.753 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -162.03 132.23 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 1.89 111.014 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.33 124.49 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 3.74 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.411 ' H ' ' HA ' ' A' ' 58' ' ' ARG . 67.4 t80 -138.62 105.0 5.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 4.47 110.77 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.7 t -124.76 -178.02 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 4.59 110.872 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.67 57.11 3.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 6.35 111.113 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -80.63 148.9 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 4.67 110.711 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -106.35 93.25 7.92 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 3.92 110.944 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.59 -8.07 20.14 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.603 2.202 . . . . 4.59 112.576 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 41.2 ttm180 -71.94 -16.17 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 8.64 110.777 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -92.36 0.68 71.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.65 -0.786 . . . . 3.43 112.506 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.59 18.57 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.715 0.293 . . . . 5.71 110.986 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 181' ' ' ARG . 96.1 mt -57.18 133.31 80.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 4.53 110.886 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.81 128.01 11.29 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.504 2.136 . . . . 3.71 112.29 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.31 -16.1 50.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 6.38 111.157 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.0 t -129.2 154.53 46.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 5.07 111.111 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 94.6 mt -111.87 67.35 0.65 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 4.32 110.785 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.35 154.24 40.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 3.78 110.832 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -154.67 167.35 30.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 3.36 110.566 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -120.54 139.2 53.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 4.16 110.568 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 257' ' ' ALA . 6.1 t -120.7 147.39 45.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.377 -0.374 . . . . 1.5 111.096 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -167.03 87.67 0.79 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 2.91 110.994 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.542 ' HA ' HG23 ' A' ' 207' ' ' THR . 94.2 Cg_endo -77.84 136.17 14.82 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.439 2.093 . . . . 1.48 111.851 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -157.99 -140.44 2.93 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.234 -0.984 . . . . 1.64 113.118 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 13.6 m -135.29 -170.76 2.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.549 0.214 . . . . 2.75 110.656 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.531 HD12 ' HB3' ' A' ' 202' ' ' LEU . 66.5 mt -56.39 169.29 0.45 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.836 0.351 . . . . 5.98 110.969 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.8 p -78.65 -5.26 52.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.176 0.512 . . . . 5.3 110.386 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.578 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 35.8 p -103.15 165.73 13.09 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.407 -0.815 . . . . 4.96 110.351 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 85.3 Cg_exo -41.17 158.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.478 2.119 . . . . 5.64 112.433 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -37.74 97.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.955 2.437 . . . . 6.0 112.575 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.531 ' HB3' HD12 ' A' ' 197' ' ' LEU . 0.2 OUTLIER -126.06 -55.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 5.41 111.254 -179.365 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.416 ' HG ' HD12 ' A' ' 202' ' ' LEU . 93.5 mt -148.34 126.49 12.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.788 0.327 . . . . 5.02 111.1 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -99.6 16.95 21.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.528 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 31.6 p -78.79 2.0 21.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 2.48 110.456 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.67 122.93 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.715 -0.675 . . . . 1.8 110.74 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 194' ' ' PRO . 22.4 m -113.01 140.52 47.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 1.27 111.155 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -106.25 108.59 20.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 2.43 110.72 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.716 ' HB ' HD13 ' A' ' 143' ' ' LEU . 3.2 mp -120.03 161.64 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.851 -0.613 . . . . 1.45 110.558 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 209' ' ' ILE . 36.6 t -123.36 104.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 2.12 111.229 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.441 ' HB2' HG12 ' A' ' 145' ' ' ILE . 76.9 mt -54.4 138.55 39.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.999 -0.546 . . . . 3.85 111.046 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -70.54 -6.68 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 5.85 110.74 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.401 ' HB3' ' HD2' ' A' ' 214' ' ' PRO . 12.8 mm-40 -58.36 162.3 6.31 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.07 -0.514 . . . . 5.91 111.268 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 213' ' ' GLU . 78.3 Cg_exo -51.27 173.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.801 2.334 . . . . 3.58 112.938 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.778 ' H ' HD13 ' A' ' 215' ' ' ILE . 0.2 OUTLIER -118.29 172.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.879 -0.601 . . . . 4.42 111.307 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . 0.521 ' HB2' ' HB3' ' A' ' 147' ' ' LEU . 42.1 t -50.96 172.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.087 0.47 . . . . 3.53 111.649 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 152' ' ' ALA . 17.6 m -99.05 177.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.916 -0.584 . . . . 2.45 111.499 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.525 ' HA ' HG13 ' A' ' 149' ' ' VAL . 39.0 t -62.32 164.68 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 3.39 111.216 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.469 ' HA ' HG22 ' A' ' 222' ' ' VAL . 84.2 p -74.39 -27.25 60.55 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.923 -0.58 . . . . 2.82 110.834 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.31 -21.02 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 4.51 110.638 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -85.03 -34.34 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 3.92 110.865 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 219' ' ' SER . 33.7 m -80.75 27.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.412 . . . . 2.44 110.97 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 226' ' ' ARG . 42.3 tp -70.75 -30.63 67.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 2.8 109.91 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -85.48 -17.83 35.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.592 -0.731 . . . . 3.78 110.373 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -86.12 -36.84 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.862 -0.608 . . . . 3.33 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 223' ' ' LEU . 13.0 ptp180 -65.32 -14.02 59.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 4.82 110.769 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -70.64 -7.96 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 3.25 111.083 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.24 162.23 20.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.286 -0.415 . . . . 2.93 110.753 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -119.7 140.58 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 2.92 111.122 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.415 ' HA ' ' SD ' ' A' ' 240' ' ' MET . 38.2 t80 -55.81 -45.1 78.37 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 5.3 110.336 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -88.29 179.46 6.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.829 -0.623 . . . . 4.3 110.626 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -93.06 -173.41 40.67 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.649 -0.786 . . . . 4.09 112.333 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.3 OUTLIER -63.45 157.12 24.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 7.57 110.746 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 68.31 3.23 30.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 6.31 112.328 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -108.91 152.03 42.17 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.362 0.125 . . . . 5.7 110.681 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.94 129.35 30.19 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.489 2.126 . . . . 6.54 112.235 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -48.48 132.84 16.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 6.78 111.009 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -149.77 157.57 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 5.03 110.716 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.2 mp -89.2 122.24 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 5.11 111.145 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 230' ' ' PHE . 14.8 tpt -78.74 87.82 4.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.269 -0.423 . . . . 5.21 110.844 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 97' ' ' TRP . 3.3 p -162.9 110.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 3.44 111.431 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 21.7 t70 179.91 41.0 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.157 -0.474 . . . . 3.67 110.692 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.571 ' HB2' ' H ' ' A' ' 97' ' ' TRP . 32.4 m-80 -117.21 54.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 3.74 111.35 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -110.16 159.82 17.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 3.25 110.824 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -140.75 157.69 67.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 3.78 111.189 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.63 173.06 3.06 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.475 2.117 . . . . 2.43 112.236 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -167.58 38.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 3.18 110.983 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.25 142.08 97.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 5.35 110.579 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.571 ' HA ' HG13 ' A' ' 31' ' ' VAL . 86.1 Cg_endo -82.92 123.38 3.61 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.307 2.005 . . . . 4.02 112.797 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.47 -48.47 12.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 3.94 110.418 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -171.57 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.674 -0.694 . . . . 6.83 111.018 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.04 91.61 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.356 -0.384 . . . . 5.02 110.967 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -95.17 -57.68 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 5.82 111.231 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -158.06 132.07 7.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.819 0.343 . . . . 3.22 111.271 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 6.5 tp -116.4 136.32 53.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.178 -0.465 . . . . 2.02 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -106.41 140.98 38.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.399 . . . . 2.91 110.951 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 192' ' ' THR . . . -164.29 167.5 19.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 1.46 111.056 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 34.8 t -97.18 18.15 15.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 2.32 110.721 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -114.83 136.78 52.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.795 -0.639 . . . . 3.3 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.268 -0.872 . . . . 4.59 110.791 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.409 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.75 0.309 . . . . 32.91 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 59.86 97.49 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.982 -0.554 . . . . 30.03 111.072 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -81.02 156.56 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 29.61 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -123.03 142.36 50.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.521 . . . . 26.81 110.745 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.5 p90 -126.42 134.02 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 25.62 110.615 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.84 -25.94 5.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.705 -0.76 . . . . 23.39 112.386 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 57.11 24.15 9.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.794 0.33 . . . . 23.38 111.175 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.27 79.02 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 19.99 112.519 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -65.41 -36.07 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 19.34 110.977 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -85.31 -19.64 31.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 18.14 110.771 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -93.99 16.12 15.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 18.74 111.037 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.69 -179.42 22.2 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.69 -0.767 . . . . 16.42 112.64 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.01 88.44 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.759 2.306 . . . . 15.7 112.507 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 137.31 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 15.32 110.878 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -90.82 102.45 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 15.63 110.816 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -63.96 -29.85 70.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.057 -0.52 . . . . 11.72 111.059 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . 24.1 p80 -71.01 -21.04 62.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.845 0.355 . . . . 12.77 110.68 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.46 -19.84 62.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.524 . . . . 15.94 110.487 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -99.22 -40.78 7.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.858 -0.61 . . . . 12.96 110.864 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.12 123.28 42.43 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 10.55 110.517 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -80.11 13.74 2.11 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.386 2.057 . . . . 9.69 112.445 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 22' ' ' ILE . 2.2 mp -81.61 -43.85 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 8.17 110.429 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.77 -38.04 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 9.4 110.734 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 17' ' ' HIS . 63.5 tttp -79.04 -17.61 54.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 13.28 110.653 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.33 131.71 52.19 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.851 -0.69 . . . . 8.88 112.851 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -109.08 118.65 37.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.802 0.334 . . . . 8.92 110.814 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -103.66 1.15 31.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 9.6 110.815 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -93.8 166.36 12.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 6.33 111.244 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -142.61 78.09 16.41 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.888 -0.596 . . . . 3.57 110.712 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.73 125.43 15.44 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.578 2.185 . . . . 2.88 112.387 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.8 t -131.44 140.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.093 -0.503 . . . . 2.26 110.987 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.58 133.84 53.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.0 -0.545 . . . . 2.44 110.931 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.6 mp -98.87 131.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 1.53 110.885 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG22 ' A' ' 37' ' ' THR . 6.4 m-20 -102.84 129.27 49.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.06 0.457 . . . . 1.51 111.182 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 m -80.11 -15.73 56.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.626 . . . . 1.95 110.275 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -83.21 -35.6 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.518 -0.764 . . . . 3.43 111.307 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 34' ' ' ASP . 13.0 t -74.43 -14.95 60.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 1.73 111.156 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.55 156.98 24.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 1.29 110.953 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -136.61 145.74 45.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.526 -0.306 . . . . 3.53 110.789 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -101.65 107.48 18.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.06 0.457 . . . . 4.17 111.444 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -120.73 120.64 29.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.575 . . . . 3.04 110.472 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.78 86.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.323 2.015 . . . . 2.3 112.605 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.4 t -89.71 -45.64 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 3.07 110.354 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD21 ' HA3' ' A' ' 81' ' ' GLY . 37.4 tp -141.68 131.41 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.792 -0.64 . . . . 3.08 110.288 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -108.32 155.35 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 4.28 111.142 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.08 125.7 12.83 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.137 1.891 . . . . 2.41 111.816 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.432 HD23 ' HE2' ' A' ' 80' ' ' LYS . 47.6 tp -112.42 -56.44 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 5.24 110.818 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 m -135.49 137.71 42.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 2.67 110.999 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 HD12 ' A' ' 79' ' ' LEU . 4.6 m -142.92 124.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 2.44 111.308 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m -113.78 145.87 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 2.58 111.061 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -179.61 40.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.959 -0.564 . . . . 4.87 110.66 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.75 -31.7 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.895 -0.593 . . . . 4.17 110.739 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.86 4.4 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 4.62 110.835 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 76' ' ' LYS . . . -58.42 120.33 8.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 1.97 111.473 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 HG23 HD13 ' A' ' 57' ' ' LEU . 48.8 m -139.65 135.41 33.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.338 -0.392 . . . . 1.9 111.03 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 t -134.48 31.38 3.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.494 . . . . 1.87 111.046 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 175' ' ' PHE . 7.4 mp -94.46 -2.44 51.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 3.58 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -116.4 123.71 48.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 4.62 110.848 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.735 ' HB ' HD12 ' A' ' 166' ' ' ILE . 76.0 mt -131.24 103.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.72 111.053 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -113.21 140.09 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 2.58 110.534 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -108.74 167.55 9.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.788 0.328 . . . . 1.94 111.301 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -106.61 17.0 23.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 3.13 111.516 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.94 14.36 59.43 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.587 -0.816 . . . . 2.64 112.681 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -170.71 -52.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 4.34 111.196 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.23 150.75 24.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 2.12 110.998 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -122.01 143.85 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 3.39 111.103 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -129.67 104.66 7.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.55 . . . . 2.57 110.608 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 15.4 m -107.43 116.67 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.354 . . . . 1.95 111.482 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 92' ' ' GLN . 9.9 tp10 178.86 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.22 -0.445 . . . . 3.84 110.761 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.433 ' HB3' ' HD3' ' A' ' 76' ' ' LYS . 27.7 m-85 -129.76 168.49 16.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.344 -0.389 . . . . 4.12 110.717 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 m-20 -64.99 148.89 50.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 3.04 110.46 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.51 14.41 3.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 3.88 111.151 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.8 p -78.2 -43.52 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 3.2 110.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -167.09 -171.25 1.72 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 4.06 111.156 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.31 144.55 32.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.253 -0.43 . . . . 2.84 110.997 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . 14.4 mptt -115.14 -83.0 0.62 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 3.26 111.385 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -103.85 141.31 36.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 1.42 111.567 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 50' ' ' SER . 27.2 m -135.65 167.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 1.72 110.646 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 49' ' ' VAL . 25.8 tp -130.35 138.31 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 2.3 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HE2' HD23 ' A' ' 47' ' ' LEU . 87.6 tttt -140.83 138.28 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.35 -0.387 . . . . 2.67 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.452 ' HA3' HD21 ' A' ' 44' ' ' LEU . . . -96.91 -177.99 34.92 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.847 -0.692 . . . . 2.5 112.522 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.51 -93.53 0.01 OUTLIER Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.874 -0.679 . . . . 2.63 112.757 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD2' HD12 ' A' ' 44' ' ' LEU . 37.2 Cg_endo -65.17 -5.05 10.23 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.554 2.17 . . . . 4.13 112.314 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' HE1' ' A' ' 88' ' ' TYR . 35.6 tp -78.49 137.58 38.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 3.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -121.08 54.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 5.04 110.69 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.16 116.34 0.76 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.888 -0.673 . . . . 1.92 112.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.9 p -83.49 118.36 23.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 1.68 111.22 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.42 ' HE1' HD21 ' A' ' 84' ' ' LEU . 35.6 m-85 -89.69 117.07 28.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 3.43 111.04 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 78' ' ' VAL . 99.0 mtt180 -94.22 141.1 28.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 3.79 110.548 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.2 mt -82.5 132.56 35.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.86 0.362 . . . . 2.52 110.871 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.49 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 2.47 111.256 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.559 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . 18.6 pt20 -159.77 170.39 21.59 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.715 -0.22 . . . . 2.41 110.933 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -141.61 173.04 11.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 1.57 110.839 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.499 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 11.2 p-80 -149.8 167.98 25.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.836 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -117.33 162.1 18.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.885 0.374 . . . . 3.19 111.565 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.427 ' HA ' HD22 ' A' ' 243' ' ' ASN . 45.1 m-70 -120.7 166.31 13.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.909 -0.587 . . . . 1.68 110.478 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -171.13 100.43 0.21 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 5.75 110.461 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.594 ' HA2' ' H ' ' A' ' 243' ' ' ASN . . . -58.73 -178.46 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.889 -0.672 . . . . 3.04 112.829 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -101.13 2.77 40.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 4.29 110.567 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.0 mt -92.65 145.76 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.855 -0.611 . . . . 5.2 110.899 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 30.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 5.33 110.955 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -145.09 -51.06 0.03 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.575 -0.821 . . . . 4.18 112.603 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -141.97 176.19 9.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.613 0.244 . . . . 4.67 110.747 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 172.01 51.22 0.04 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.362 -0.923 . . . . 1.95 113.08 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.67 ' H ' ' HE2' ' A' ' 113' ' ' LYS . 42.1 t -107.67 175.44 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.611 0.243 . . . . 2.04 110.7 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.45 ' HG2' ' HB2' ' A' ' 245' ' ' ARG . 41.1 mt-10 -73.3 -83.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.834 0.35 . . . . 2.64 110.656 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -103.71 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 2.11 110.249 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.8 p -116.58 116.97 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 1.88 111.653 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.31 143.54 14.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 2.24 110.48 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.0 t70 54.75 30.42 13.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.36 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mttp 63.94 25.53 13.96 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.872 -0.604 . . . . 3.37 111.375 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -129.27 146.7 51.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 3.86 111.097 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.67 ' HE2' ' H ' ' A' ' 105' ' ' SER . 75.1 tttt -117.31 150.17 39.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 2.57 110.608 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -105.46 164.22 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 2.18 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.1 -22.7 23.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.301 -0.409 . . . . 1.72 111.049 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.98 158.48 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.55 110.715 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 11.2 pt-20 -152.46 140.99 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 2.4 111.679 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 66.2 mt -87.01 148.14 25.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.232 -0.44 . . . . 2.07 110.51 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.499 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 2.9 m170 -126.91 100.78 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 1.71 111.234 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 143' ' ' LEU . 5.5 tt -92.38 123.02 35.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.51 110.325 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.417 HG12 HG13 ' A' ' 142' ' ' VAL . 5.7 m -110.93 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 1.83 111.384 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -116.57 118.25 32.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 2.43 110.78 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.597 ' HB3' HD12 ' A' ' 140' ' ' LEU . 26.0 m0 -109.19 120.13 41.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.95 110.581 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -55.87 128.28 34.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 2.19 110.727 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.3 t -58.93 -14.4 9.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 1.77 111.154 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.87 -14.2 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.703 -0.681 . . . . 3.65 111.458 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.51 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 2.3 p90 -77.39 -29.64 53.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.449 -0.341 . . . . 4.38 111.502 -178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.21 1.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 2.22 112.347 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -139.16 172.04 13.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.642 0.258 . . . . 3.07 110.923 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -57.09 -43.61 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 3.08 111.236 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.56 -42.4 57.88 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.859 -0.686 . . . . 2.36 112.718 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 96.7 mttt -83.25 -17.47 42.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 3.63 110.703 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.51 ' HB2' ' HD1' ' A' ' 127' ' ' TYR . . . -65.38 -50.9 63.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.73 110.609 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 15.6 m -64.0 -22.7 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 2.3 110.841 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -81.79 -24.07 36.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 3.84 110.851 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -117.34 83.37 16.17 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.155 -0.475 . . . . 3.22 111.039 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.65 -35.84 98.08 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.463 2.109 . . . . 2.44 112.5 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.87 25.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 2.64 111.483 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -110.13 -21.58 6.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.615 -0.802 . . . . 1.49 112.427 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 123' ' ' TRP . 1.3 mm? -113.2 117.16 31.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.7 0.286 . . . . 1.76 110.645 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -109.07 156.45 19.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.98 111.15 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 209' ' ' ILE . 40.5 t -129.92 113.87 28.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 1.3 111.4 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.508 ' HA ' ' HB ' ' A' ' 209' ' ' ILE . 65.1 tp -85.66 144.34 27.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 2.1 110.878 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.76 118.18 2.02 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 1.4 112.688 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 118' ' ' LEU . 60.6 mt -102.91 143.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 1.53 110.725 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -121.26 122.1 39.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.528 -0.305 . . . . 4.48 110.991 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.471 HD11 ' HG ' ' A' ' 118' ' ' LEU . 14.7 mt -105.29 160.83 14.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 3.25 110.885 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -148.1 142.3 26.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.478 -0.328 . . . . 4.32 110.997 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 88.2 t -66.02 122.38 16.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.317 -0.401 . . . . 3.13 110.94 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.75 -86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 3.15 112.57 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.9 m -154.52 105.97 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 3.85 110.753 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -63.11 169.99 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 3.82 111.038 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.59 149.22 36.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 5.19 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.485 ' HD2' HH12 ' A' ' 181' ' ' ARG . 50.3 Cg_endo -69.87 -2.68 10.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.534 2.156 . . . . 3.09 112.047 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.97 -56.47 6.43 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.881 -0.676 . . . . 2.71 112.391 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.9 mp -96.01 0.45 51.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 3.94 110.923 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -63.67 -33.64 76.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 3.55 110.616 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -84.91 -24.56 28.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 4.82 111.042 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 162' ' ' VAL . 59.2 t -67.54 -39.82 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 3.12 111.881 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.85 -15.51 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 3.14 111.415 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.95 -47.54 24.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.301 -0.408 . . . . 3.01 110.785 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 159' ' ' VAL . 15.0 m -71.03 -17.34 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 2.46 110.688 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.49 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.975 -0.557 . . . . 2.31 110.93 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.83 -17.87 4.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 2.42 110.496 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 47.6 t -82.05 -43.78 17.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.906 -0.588 . . . . 1.85 110.216 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.735 HD12 ' HB ' ' A' ' 59' ' ' ILE . 3.6 pt -92.08 30.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.964 -0.562 . . . . 2.44 110.763 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.25 -46.43 73.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.839 -0.619 . . . . 3.75 111.06 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 63.8 p -83.11 169.49 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.815 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.2 OUTLIER -80.53 144.19 32.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 3.46 111.0 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.76 68.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 2.2 112.47 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -109.62 120.95 44.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 3.33 111.132 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 39.4 t -106.36 168.93 8.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 2.27 110.464 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.94 141.69 32.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 1.89 111.178 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -85.56 156.11 20.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 3.74 110.605 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.435 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 37.7 p90 -97.25 128.46 44.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.065 0.46 . . . . 4.47 110.909 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 32.5 m -151.87 151.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.992 -0.549 . . . . 4.59 110.54 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 11.7 m120 60.16 55.84 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 6.35 110.571 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -52.07 149.4 5.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.841 -0.618 . . . . 4.67 111.141 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.6 108.82 27.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.55 . . . . 3.92 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.83 -16.36 49.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.226 1.951 . . . . 4.59 112.202 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.485 HH12 ' HD2' ' A' ' 154' ' ' PRO . 17.4 ptp180 -76.17 -24.76 54.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 8.64 110.73 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -80.31 14.57 21.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.86 -0.686 . . . . 3.43 112.614 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 87.8 mt -98.52 17.21 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 5.71 110.791 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.54 146.47 85.22 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.1 -0.5 . . . . 4.53 110.912 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.94 128.04 9.74 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.471 2.114 . . . . 3.71 112.559 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -81.2 -7.28 59.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 6.38 110.862 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 47.9 t -86.81 100.49 12.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 5.07 111.074 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.436 ' HG ' ' OD1' ' A' ' 189' ' ' ASP . 62.9 tp -168.1 -73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 4.32 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.436 ' OD1' ' HG ' ' A' ' 188' ' ' LEU . 35.3 m-20 -145.23 164.38 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 3.78 110.794 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -144.83 167.83 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 3.36 110.975 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.569 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 15.6 t-105 -147.63 116.92 6.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.908 -0.587 . . . . 4.16 110.134 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 6.2 t -146.81 169.06 19.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 1.5 111.754 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . 0.444 ' HB2' HG13 ' A' ' 255' ' ' ILE . 22.1 t80 -158.06 117.25 1.86 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 115.78 -0.645 . . . . 2.91 110.346 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.617 ' HA ' HG23 ' A' ' 207' ' ' THR . 74.0 Cg_exo -48.7 127.58 16.74 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.218 1.945 . . . . 1.48 112.292 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -105.07 119.09 6.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.64 112.773 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.47 ' HB2' ' H ' ' A' ' 203' ' ' LEU . 97.5 p -113.84 -179.62 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.594 0.235 . . . . 2.75 110.432 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.82 -178.15 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.578 -0.283 . . . . 5.98 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 7.6 t -69.27 -17.89 63.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 5.3 110.205 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.613 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 32.0 p -89.74 168.36 15.05 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.332 -0.849 . . . . 4.96 110.151 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 74.3 Cg_exo -40.43 161.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.539 2.159 . . . . 5.64 112.522 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -32.3 98.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.324 2.683 . . . . 6.0 113.256 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.424 ' H ' ' HB2' ' A' ' 196' ' ' SER . 0.5 OUTLIER -115.6 -50.98 2.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 5.41 110.368 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 203' ' ' LEU . 3.1 mm? 61.17 88.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 5.02 110.62 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -68.16 -74.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 3.98 110.727 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 25.4 p -174.69 35.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.484 . . . . 2.48 110.505 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 4.3 m -145.3 121.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.93 -0.577 . . . . 1.8 111.175 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.617 HG23 ' HA ' ' A' ' 194' ' ' PRO . 27.0 m -109.13 146.42 34.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 1.27 110.453 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -92.03 107.89 19.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 2.43 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 143' ' ' LEU . 3.2 mm -103.66 155.81 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.128 -0.487 . . . . 1.45 110.513 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 62.2 t -144.62 135.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 2.12 111.076 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.58 151.46 37.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 3.85 110.478 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 64.7 pttt -52.96 -46.26 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 5.85 111.25 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 212' ' ' LYS . 42.5 mm-40 -131.99 99.04 16.81 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 5.91 111.126 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.42 131.08 40.7 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.284 1.989 . . . . 3.58 112.044 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.404 HG13 HD22 ' A' ' 147' ' ' LEU . 33.7 pt -77.28 164.53 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 4.42 111.405 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 24.2 m -125.79 144.41 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 3.53 110.743 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 147' ' ' LEU . 33.6 m -131.49 164.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.45 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 48.2 t -109.72 160.03 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.455 -0.339 . . . . 3.39 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.529 ' HB2' HH22 ' A' ' 226' ' ' ARG . 89.2 p -55.21 -23.43 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 2.82 110.974 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.97 -32.59 45.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 4.51 110.456 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -68.59 -35.04 76.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 3.92 110.449 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.6 m -94.98 -1.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 2.44 110.898 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 226' ' ' ARG . 49.4 tp -64.25 -29.54 70.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 2.8 110.535 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.863 -0.608 . . . . 3.78 110.787 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -87.68 -24.97 23.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.848 -0.615 . . . . 3.33 111.058 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.574 ' HD2' HD12 ' A' ' 223' ' ' LEU . 98.9 mtt180 -64.21 -20.39 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 4.82 111.045 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.46 -20.51 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 3.25 110.891 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.73 162.19 19.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.93 111.216 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -78.75 148.65 32.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.969 -0.56 . . . . 2.92 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 240' ' ' MET . 51.7 p90 -72.16 -8.64 55.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.019 -0.537 . . . . 5.3 111.258 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.422 ' HB3' ' HG3' ' A' ' 235' ' ' GLU . 2.9 t-20 -144.27 -59.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 4.3 111.114 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . 178.18 -160.66 27.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.707 -0.758 . . . . 4.09 112.544 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.91 157.27 35.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.933 0.396 . . . . 7.57 110.954 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 75.54 3.14 71.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.771 -0.728 . . . . 6.31 112.204 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 231' ' ' ASN . 8.3 mm-40 -106.92 150.35 39.67 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.411 0.148 . . . . 5.7 110.806 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.01 138.46 78.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.157 . . . . 6.54 112.307 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.17 95.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 6.78 110.947 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.56 140.71 22.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 5.03 110.961 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -69.27 141.59 54.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 5.11 110.81 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.458 ' HB2' ' HA ' ' A' ' 230' ' ' PHE . 45.6 ttp -64.99 125.39 24.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 5.21 110.767 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.14 179.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 3.44 111.396 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 12.3 t70 65.96 42.37 3.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.13 -0.486 . . . . 3.67 110.302 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.594 ' H ' ' HA2' ' A' ' 98' ' ' GLY . 2.7 m-20 -96.27 51.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.737 -0.665 . . . . 3.74 111.426 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -97.91 148.35 23.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 3.25 110.792 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.45 ' HB2' ' HG2' ' A' ' 106' ' ' GLU . 35.4 mmt180 -140.74 151.78 64.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 3.78 110.934 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -78.03 151.34 27.2 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.543 2.162 . . . . 2.43 112.182 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.56 -173.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 3.18 111.046 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.8 143.73 50.18 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.273 -0.421 . . . . 5.35 110.846 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -77.11 126.02 8.31 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.579 2.186 . . . . 4.02 112.748 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 32.8 tp -72.71 -27.84 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 3.94 110.274 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.04 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 6.83 111.788 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -145.63 -54.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 5.02 111.142 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -50.65 144.33 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 5.82 111.068 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -102.32 171.53 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 3.22 110.925 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 193' ' ' TYR . 1.8 mp -68.09 116.36 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 2.02 111.068 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -88.23 78.92 7.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 2.91 110.489 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.78 162.51 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.46 111.007 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 97.0 p -106.93 1.38 24.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 2.32 110.651 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -112.26 143.57 43.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.542 . . . . 3.3 110.895 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 65.0 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.192 -0.909 . . . . 4.59 110.984 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 0.403 ' O3 ' ' N2 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.801 0.334 . . . . 32.91 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -115.94 -176.02 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 30.03 110.779 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 57.67 89.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.98 0.419 . . . . 29.61 110.829 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -107.98 -6.3 16.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 26.81 111.121 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -95.77 132.63 40.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 25.62 111.151 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.43 163.87 12.13 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.951 -0.642 . . . . 23.39 112.197 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -95.28 -35.33 11.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.698 0.285 . . . . 23.38 111.22 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.93 144.4 15.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.693 -0.765 . . . . 19.99 112.542 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.39 -41.71 80.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.808 0.337 . . . . 19.34 110.728 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -82.68 -31.6 28.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 18.14 110.701 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -80.33 -13.5 59.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 18.74 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.2 170.65 23.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.691 -0.766 . . . . 16.42 112.458 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.69 174.94 9.57 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.611 2.207 . . . . 15.7 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -155.66 131.45 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 15.32 110.748 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -123.71 113.91 19.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 15.63 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 49.1 p90 -67.37 -12.38 60.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 11.72 110.819 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -78.3 -29.76 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.485 . . . . 12.77 110.694 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -71.48 -19.55 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 15.94 110.922 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.84 -32.43 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 12.96 110.719 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -106.0 141.37 22.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.55 110.804 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -77.95 12.99 1.82 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.434 2.089 . . . . 9.69 112.695 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 204' ' ' GLU . 8.0 tp -74.32 -39.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.869 0.366 . . . . 8.17 110.459 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.22 -22.58 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 9.4 110.666 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -88.6 -16.35 32.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 13.28 110.77 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.65 129.39 9.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 8.88 112.74 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.35 -14.19 25.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.95 0.405 . . . . 8.92 110.551 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -86.29 0.16 54.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.566 . . . . 9.6 109.924 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.468 HE21 ' HB3' ' A' ' 204' ' ' GLU . 10.2 mm100 -84.49 49.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.42 -0.809 . . . . 6.33 110.715 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -158.79 146.48 13.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 3.57 110.77 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.62 125.16 18.14 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.513 2.142 . . . . 2.88 112.186 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.4 p -133.14 176.58 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 2.26 110.823 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.655 ' H ' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -84.25 112.91 20.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 2.44 110.768 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 31' ' ' VAL . 4.7 mp -91.71 106.44 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.961 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.533 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.6 m-20 -113.13 129.49 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 1.51 111.193 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 m -60.9 -19.97 61.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.97 -0.559 . . . . 1.95 110.726 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -82.53 -41.11 20.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 3.43 111.583 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.533 HG22 ' HB2' ' A' ' 34' ' ' ASP . 12.6 t -74.81 -19.66 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 1.73 111.092 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.52 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 1.29 110.772 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -128.19 144.65 51.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.372 . . . . 3.53 111.13 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -81.25 98.12 7.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 4.17 110.724 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -117.15 92.27 39.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 3.04 111.417 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.88 86.08 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.426 2.084 . . . . 2.3 112.179 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.3 p -89.76 -42.48 11.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 3.07 111.099 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.3 mt -145.66 87.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 3.08 111.179 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.59 149.05 95.42 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.839 -0.619 . . . . 4.28 110.879 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HA2' ' A' ' 81' ' ' GLY . 39.1 Cg_endo -67.04 126.94 15.95 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.485 2.123 . . . . 2.41 112.449 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.0 -49.38 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 5.24 111.124 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -132.81 135.81 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 2.67 111.356 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG13 ' HG ' ' A' ' 79' ' ' LEU . 61.6 t -145.16 130.18 13.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.863 -0.608 . . . . 2.44 110.412 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.3 t -107.16 135.01 49.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 2.58 111.319 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -169.7 40.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.983 -0.553 . . . . 4.87 110.797 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -91.58 -43.43 9.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.11 -0.495 . . . . 4.17 110.463 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -85.11 -9.03 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 4.62 110.331 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -48.1 120.19 3.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.968 -0.56 . . . . 1.97 110.991 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -160.1 144.87 14.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 1.9 111.603 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.7 p -103.14 162.05 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 1.87 110.123 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.6 mt -120.7 -39.04 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.68 -0.236 . . . . 3.58 111.516 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -171.09 158.7 5.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 4.62 111.183 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 68' ' ' VAL . 4.9 mp -132.42 116.01 27.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.003 -0.544 . . . . 1.72 110.793 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -101.83 152.38 20.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.572 -0.286 . . . . 2.58 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' ND2' HG21 ' A' ' 166' ' ' ILE . 2.1 m-20 -103.69 153.4 20.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.258 -0.428 . . . . 1.94 111.259 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -106.54 18.65 21.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.918 -0.583 . . . . 3.13 111.005 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' HB3' ' A' ' 169' ' ' LYS . . . 97.71 10.88 52.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 2.64 112.474 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.611 ' HA ' ' HG2' ' A' ' 169' ' ' LYS . 23.7 p80 -176.89 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.711 0.291 . . . . 4.34 110.784 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.08 21.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 2.12 110.605 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -142.69 138.12 30.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 3.39 111.564 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 93' ' ' PHE . 3.6 p-10 -117.09 148.25 41.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 2.57 110.609 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.431 ' HA ' HG13 ' A' ' 59' ' ' ILE . 13.3 p -81.4 147.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 1.95 111.424 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -110.15 145.01 37.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 3.84 110.86 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -120.45 145.14 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 4.12 110.521 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.35 149.84 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 3.04 110.78 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -86.34 33.69 0.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 3.88 111.59 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -89.63 -0.12 57.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 3.2 111.013 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 60.71 176.7 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.184 -0.462 . . . . 4.06 111.085 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 39.38 51.11 2.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 2.84 111.643 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.619 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 15.4 tppt? -86.26 -58.72 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 3.26 110.922 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -160.11 119.75 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 1.42 111.167 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.5 p -128.15 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.006 -0.543 . . . . 1.72 110.558 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' HG ' HG13 ' A' ' 49' ' ' VAL . 5.3 mp -127.0 151.52 48.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 2.3 111.347 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -159.37 165.8 32.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 2.67 110.533 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 46' ' ' PRO . . . -132.11 86.55 0.29 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.611 -0.804 . . . . 2.5 112.849 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.74 -178.13 16.49 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.628 -0.796 . . . . 2.63 112.633 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.09 0.85 9.3 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.459 2.106 . . . . 4.13 111.962 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.1 140.93 36.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 3.0 110.783 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.33 11.8 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 5.04 110.7 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 44.34 1.54 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.857 -0.687 . . . . 1.92 112.344 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 t -54.28 142.92 24.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.324 . . . . 1.68 111.253 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -97.72 133.71 41.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 3.43 110.65 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -96.84 146.95 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 3.79 111.345 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 2.52 110.445 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.6 ' HB ' HG23 ' A' ' 121' ' ' VAL . 3.5 mp -102.85 -71.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 2.47 111.541 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' HG22 ' A' ' 91' ' ' ILE . 14.2 pt20 -159.33 171.92 18.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.82 0.343 . . . . 2.41 111.131 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.571 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 40.2 p90 -148.02 146.38 28.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 1.57 111.114 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -120.5 169.58 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 1.29 110.873 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 118' ' ' LEU . 2.3 m-85 -109.71 149.51 29.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 3.19 111.089 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -113.21 169.82 8.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.008 -0.542 . . . . 1.68 110.982 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -176.05 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 5.75 110.749 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' A' ' 241' ' ' VAL . . . -136.44 7.44 3.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.52 -0.848 . . . . 3.04 113.244 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.7 m -104.41 -35.3 7.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.918 0.359 . . . . 4.29 111.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.2 mt -154.22 117.47 4.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 5.2 110.423 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.72 83.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 5.33 110.521 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.16 -45.72 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 4.18 112.293 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -139.15 131.87 29.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 4.67 110.9 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.484 ' HA2' ' HG3' ' A' ' 113' ' ' LYS . . . 72.55 -11.99 3.84 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.79 -0.719 . . . . 1.95 113.119 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.1 t 64.59 133.04 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.014 0.435 . . . . 2.04 111.245 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -60.86 -13.75 17.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 2.64 110.744 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -100.66 175.07 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 2.11 110.586 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 32' ' ' ASP . 61.4 m -82.11 127.27 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.88 110.84 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.1 m -83.51 159.54 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.127 0.489 . . . . 2.24 111.54 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -122.16 74.72 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.644 -0.707 . . . . 2.18 110.136 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 67.62 -2.41 1.35 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.9 -0.591 . . . . 3.37 111.288 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HD2' ' HD3' ' A' ' 148' ' ' LYS . 53.0 pttt -136.41 120.71 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 3.86 110.821 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HG3' ' HA2' ' A' ' 104' ' ' GLY . 24.7 ttmm -80.39 149.32 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 2.57 110.956 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.93 98.98 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.445 . . . . 2.18 110.332 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.03 -51.84 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 1.72 111.098 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -123.93 168.04 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 1.55 110.569 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 43.2 mt-10 -150.48 141.6 23.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.868 0.366 . . . . 2.4 111.566 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.601 ' HB2' ' HB ' ' A' ' 145' ' ' ILE . 99.5 mt -86.57 148.17 25.62 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.081 -0.509 . . . . 2.07 110.41 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 97.74 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 1.71 111.264 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.571 ' HG ' ' HB3' ' A' ' 93' ' ' PHE . 8.3 mp -89.39 134.55 34.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.406 . . . . 2.51 110.29 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.6 HG23 ' HB ' ' A' ' 91' ' ' ILE . 7.2 m -103.26 121.64 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.83 111.444 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -131.71 158.57 40.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.033 -0.53 . . . . 2.43 110.749 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -169.86 143.51 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 3.95 110.608 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.22 127.87 33.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.971 -0.559 . . . . 2.19 111.097 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 t -74.52 -14.69 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.77 110.917 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.84 -26.88 59.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 3.65 110.941 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -79.61 -27.85 41.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 4.38 111.042 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.79 -71.89 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 2.22 112.741 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.39 172.04 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 3.07 110.945 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -55.73 -37.78 68.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 3.08 110.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.82 68.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.843 -0.694 . . . . 2.36 112.565 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -88.89 -25.16 22.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 3.63 110.754 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.79 -39.91 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 1.73 111.132 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.3 m -63.65 -11.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 2.3 111.29 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.08 -10.45 59.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 3.84 110.773 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -138.2 129.57 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.01 -0.541 . . . . 3.22 110.512 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.45 -32.69 24.79 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 2.44 112.282 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -106.91 26.59 9.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 2.64 110.69 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -99.88 -18.27 23.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.797 -0.716 . . . . 1.49 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 140' ' ' LEU . 2.5 pt? -126.48 151.61 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 1.76 110.907 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.3 135.37 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 206' ' ' VAL . 27.8 t -105.52 121.14 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 1.3 111.077 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.442 HD13 ' HB ' ' A' ' 209' ' ' ILE . 4.5 mm? -85.94 106.36 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 2.1 111.15 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -100.15 109.9 3.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.902 -0.666 . . . . 1.4 112.251 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.609 HD11 ' HG ' ' A' ' 211' ' ' LEU . 48.6 mm -104.28 143.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 1.53 111.292 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 53.2 p90 -108.54 151.44 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 4.48 110.96 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.0 mt -122.36 119.84 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 3.25 110.613 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.42 ' HD3' ' HD2' ' A' ' 112' ' ' LYS . 63.2 pttt -114.18 138.36 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 4.32 110.994 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.88 135.89 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 3.13 110.726 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.9 -167.63 20.94 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.936 -0.65 . . . . 3.15 111.838 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.0 m 55.95 53.97 8.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.073 0.463 . . . . 3.85 110.392 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -51.28 117.26 2.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 3.82 111.518 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 156' ' ' LEU . 36.8 ttmt -102.25 136.6 19.39 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.155 -0.475 . . . . 5.19 110.648 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.35 -29.98 7.14 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.507 2.138 . . . . 3.09 112.54 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -94.21 2.8 68.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.696 -0.764 . . . . 2.71 112.834 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 153' ' ' LYS . 45.4 tp -68.32 -12.49 61.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 3.94 110.695 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.33 -21.58 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 3.55 110.689 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -50.43 -47.13 56.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.854 -0.612 . . . . 4.82 111.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 162' ' ' VAL . 11.8 p -84.45 -22.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.311 -0.404 . . . . 3.12 111.237 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.89 -32.06 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 3.14 111.131 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -73.67 -49.24 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 3.01 110.896 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 159' ' ' VAL . 12.1 p -66.39 -24.3 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 2.46 110.903 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.73 -39.14 93.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 2.31 111.219 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.59 -12.46 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 2.42 110.873 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 58.9 m -83.19 -34.18 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 1.85 111.139 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.427 HG21 ' ND2' ' A' ' 61' ' ' ASN . 3.1 mp -104.31 51.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.891 0.377 . . . . 2.44 110.84 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 168' ' ' THR . 9.4 ptpp? -50.4 -41.67 52.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.142 -0.481 . . . . 3.75 110.772 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 p -111.3 144.73 40.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 2.36 110.616 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -66.56 146.07 54.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 3.46 111.107 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 110.68 -25.36 15.08 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.838 -0.696 . . . . 2.2 112.446 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -82.03 176.89 9.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 3.33 111.073 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 36.5 t -135.81 172.93 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.818 -0.628 . . . . 2.27 110.984 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -156.09 142.57 18.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.89 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -92.5 134.04 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.375 -0.375 . . . . 3.74 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -156.16 107.39 2.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 4.47 110.611 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 9.9 t -128.67 -178.66 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 4.59 111.079 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 64.34 57.19 1.21 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.023 0.44 . . . . 6.35 111.219 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -87.12 139.67 30.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.459 . . . . 4.67 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.69 112.44 34.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 3.92 111.229 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.25 -7.86 13.06 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.556 2.171 . . . . 4.59 112.549 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -66.28 -30.08 70.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.383 -0.372 . . . . 8.64 110.976 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -74.72 2.35 48.98 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.686 -0.769 . . . . 3.43 112.575 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 95.1 mt -111.98 19.1 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.681 0.277 . . . . 5.71 110.99 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 185' ' ' PRO . 2.5 pt? -55.85 145.83 50.68 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.245 -0.434 . . . . 4.53 110.718 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 184' ' ' LEU . 15.6 Cg_exo -68.58 126.89 14.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.593 2.195 . . . . 3.71 112.41 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.83 -45.7 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 6.38 110.746 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 50.8 m -151.82 159.43 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 5.07 110.781 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 74.4 mt -93.85 59.06 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 4.32 110.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -147.95 168.47 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 3.78 110.747 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -139.94 -179.94 6.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 3.36 110.778 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.669 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 8.3 t-105 -145.07 111.49 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 4.16 110.251 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.8 t -114.79 153.63 30.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 1.5 111.185 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -160.34 87.08 1.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 2.91 110.923 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.622 ' HA ' HG23 ' A' ' 207' ' ' THR . 36.4 Cg_endo -65.57 127.72 18.62 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.192 1.928 . . . . 1.48 111.981 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -154.77 -166.78 15.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.657 -0.782 . . . . 1.64 112.715 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . 92.3 p -116.2 -171.1 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.676 0.274 . . . . 2.75 110.874 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.545 HD22 HD12 ' A' ' 203' ' ' LEU . 21.8 tp -59.44 167.04 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.419 -0.355 . . . . 5.98 110.804 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 76.8 p -55.2 -23.73 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.154 0.502 . . . . 5.3 110.549 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 23.6 p -90.3 165.66 22.76 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.553 -0.749 . . . . 4.96 110.358 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 78.8 Cg_exo -42.83 160.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.457 2.105 . . . . 5.64 112.673 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -40.14 96.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.84 2.36 . . . . 6.0 112.717 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.93 -46.56 0.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 5.41 111.17 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.545 HD12 HD22 ' A' ' 197' ' ' LEU . 57.6 mt -124.8 113.45 17.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 5.02 111.574 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.468 ' HB3' HE21 ' A' ' 28' ' ' GLN . 0.0 OUTLIER -104.58 14.49 29.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 3.98 110.82 179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.81 6.23 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 2.48 110.541 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 142' ' ' VAL . 16.2 t -125.05 121.45 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.862 -0.608 . . . . 1.8 111.031 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.622 HG23 ' HA ' ' A' ' 194' ' ' PRO . 30.9 m -113.04 146.49 39.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 1.27 110.963 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -101.83 108.65 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 2.43 111.124 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -115.39 146.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 1.45 110.692 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 191' ' ' TRP . 21.6 t -122.32 137.07 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.12 111.11 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 145' ' ' ILE . 63.4 mt -64.86 167.61 7.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 3.85 110.938 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -68.59 -28.99 67.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 5.85 111.268 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.27 90.79 50.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 5.91 111.124 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.04 127.45 16.02 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.389 2.06 . . . . 3.58 112.132 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 19.2 tt -82.31 151.89 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 4.42 111.178 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 77.9 p -131.34 165.84 22.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 3.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.462 ' HB ' HE21 ' A' ' 221' ' ' GLN . 29.9 m -114.32 147.5 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 2.45 111.224 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . . . . . . . . . 51.7 m -92.73 150.59 20.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 3.39 110.806 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 222' ' ' VAL . 39.7 t -70.83 -13.25 61.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.94 -0.573 . . . . 2.82 110.967 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.13 -35.61 41.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 4.51 111.479 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . 0.462 HE21 ' HB ' ' A' ' 217' ' ' VAL . 7.7 pt20 -80.22 -36.85 34.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.7 0.286 . . . . 3.92 111.197 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 219' ' ' SER . 18.1 m -76.84 -6.5 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.39 . . . . 2.44 110.732 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.92 -35.51 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 2.8 110.209 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -75.48 -24.93 56.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.833 -0.621 . . . . 3.78 110.739 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -63.39 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 3.33 110.74 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.37 -33.91 74.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 4.82 110.667 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -75.3 -23.91 57.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 3.25 110.69 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 86.5 mt -88.03 162.13 16.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.025 -0.534 . . . . 2.93 110.821 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.11 145.96 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 2.92 110.598 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -73.2 3.1 6.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.32 -0.4 . . . . 5.3 111.177 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -152.96 166.84 31.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.608 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . 0.454 ' N ' ' HB2' ' A' ' 169' ' ' LYS . . . -65.12 170.69 25.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.609 -0.805 . . . . 4.09 112.386 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 233' ' ' GLU . 0.0 OUTLIER -72.64 156.64 38.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 7.57 110.915 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 65.8 11.87 55.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 6.31 112.195 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -102.42 152.84 38.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.565 0.221 . . . . 5.7 110.83 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.34 142.21 78.23 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.616 2.211 . . . . 6.54 112.422 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.83 103.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 6.78 110.844 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -112.29 148.16 34.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 5.03 110.828 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 239' ' ' LEU . 7.6 mp -67.92 146.87 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 5.11 110.927 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.569 ' HG3' HG12 ' A' ' 241' ' ' VAL . 25.6 ptt? -54.1 -30.98 50.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.876 -0.602 . . . . 5.21 111.192 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.569 HG12 ' HG3' ' A' ' 240' ' ' MET . 8.2 p -158.84 149.56 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 3.44 110.988 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -149.08 26.03 0.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 3.67 110.364 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.451 ' H ' HG22 ' A' ' 241' ' ' VAL . 3.0 t-20 -129.53 34.34 4.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 3.74 111.171 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -97.1 132.75 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 3.25 110.896 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -141.11 150.9 60.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 3.78 111.117 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.16 136.51 20.18 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.582 2.188 . . . . 2.43 112.362 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -93.63 164.76 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.4 . . . . 3.18 111.527 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -129.53 99.42 20.97 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 5.35 110.241 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.14 123.84 11.78 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.318 2.012 . . . . 4.02 112.591 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.424 HD23 ' HG2' ' A' ' 253' ' ' ARG . 56.1 tp -80.03 -40.29 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.984 -0.553 . . . . 3.94 110.635 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.6 29.26 13.13 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.612 -0.722 . . . . 6.83 111.177 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -127.52 -56.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 5.02 111.126 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . 0.424 ' HG2' HD23 ' A' ' 250' ' ' LEU . 5.2 mmp_? -74.47 143.94 44.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 5.82 111.172 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.47 168.6 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 3.22 110.891 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 255' ' ' ILE . 3.4 mp -105.53 111.51 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 2.02 110.838 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.95 103.01 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 2.91 110.795 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.669 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -125.44 168.34 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.46 111.006 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 43.6 t -78.37 -13.48 59.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 2.32 110.194 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -111.73 154.52 24.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.3 110.575 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.902 . . . . 4.59 111.21 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.443 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.748 0.309 . . . . 32.91 111.111 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -158.07 -55.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 30.03 111.246 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -81.57 -13.7 57.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 29.61 111.076 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -60.07 -56.42 21.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 26.81 110.98 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -103.28 124.72 49.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 25.62 110.844 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.51 -179.66 38.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.814 -0.708 . . . . 23.39 112.475 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -163.53 -54.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 23.38 111.055 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.1 68.46 0.32 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.712 -0.756 . . . . 19.99 112.726 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.44 -15.68 63.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.919 0.39 . . . . 19.34 110.568 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -75.08 -22.16 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 18.14 110.762 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -115.97 -9.39 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.984 -0.553 . . . . 18.74 110.703 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.63 166.71 25.37 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.744 -0.741 . . . . 16.42 112.444 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.32 100.41 1.23 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.497 2.132 . . . . 15.7 112.234 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -82.5 148.15 28.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 15.32 111.02 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -134.73 129.63 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 15.63 111.09 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -65.07 -12.25 48.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 11.72 110.737 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -74.68 -38.92 62.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 12.77 111.242 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -83.22 -2.25 55.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.507 -0.315 . . . . 15.94 111.418 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -109.87 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 12.96 110.896 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 91.6 m-85 -114.8 122.14 34.27 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.55 110.756 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 20' ' ' PHE . 36.3 Cg_exo -61.84 -3.39 3.63 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.62 2.213 . . . . 9.69 112.545 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 27' ' ' ARG . 1.9 mp -68.5 -42.29 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 8.17 110.196 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.18 36.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.702 -0.681 . . . . 9.4 110.386 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.43 -11.31 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.802 -0.635 . . . . 13.28 110.397 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.23 59.63 2.13 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.877 -0.678 . . . . 8.88 112.512 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -170.56 48.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 8.92 110.862 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.537 ' HA ' ' HB ' ' A' ' 198' ' ' THR . 16.9 ptm180 -92.01 -6.23 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 9.6 110.444 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -104.8 134.33 48.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.848 -0.614 . . . . 6.33 110.779 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.8 p -115.65 98.51 51.01 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.423 -0.353 . . . . 3.57 111.29 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . 34.8 Cg_endo -66.06 128.17 19.1 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.527 2.151 . . . . 2.88 112.49 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 32' ' ' ASP . 21.7 t -127.07 166.18 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.03 -0.532 . . . . 2.26 110.26 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.525 ' N ' HG12 ' A' ' 31' ' ' VAL . 13.1 t70 -88.8 98.46 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.885 0.374 . . . . 2.44 110.5 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.4 mp -81.5 137.63 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.886 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.04 129.31 55.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.242 -0.436 . . . . 1.51 111.051 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.2 m -80.16 -34.59 37.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.847 -0.615 . . . . 1.95 110.807 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -64.46 -39.86 94.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 3.43 110.736 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.2 p -81.46 -21.59 38.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 1.73 110.869 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.02 152.76 31.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.513 . . . . 1.29 111.089 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -132.89 128.71 37.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.398 -0.365 . . . . 3.53 110.799 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 257' ' ' ALA . 41.4 p90 -94.55 134.74 36.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 4.17 110.983 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.529 ' H ' ' HA ' ' A' ' 258' ' ' SER . 3.3 p30 -130.19 127.42 22.58 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.243 -0.435 . . . . 3.04 110.972 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.09 32.74 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.445 2.096 . . . . 2.3 112.55 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -66.62 -17.83 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 3.07 111.233 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.621 HD11 ' HA3' ' A' ' 81' ' ' GLY . 52.2 tp -132.35 124.59 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 3.08 111.053 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -108.74 138.91 20.42 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 4.28 110.875 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.75 125.45 17.26 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.219 1.946 . . . . 2.41 111.743 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.2 tp -103.5 -66.39 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 5.24 110.695 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.8 m -135.72 109.83 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 2.67 110.768 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG22 HD12 ' A' ' 79' ' ' LEU . 45.7 t -138.96 113.91 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 2.44 111.363 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 t -113.53 149.02 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 2.58 110.467 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -175.06 -34.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 4.87 111.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.86 -25.55 63.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 4.17 110.429 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -92.55 -15.66 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.905 -0.589 . . . . 4.62 110.841 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -53.53 125.27 17.48 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.268 -0.424 . . . . 1.97 110.873 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 37.2 m -125.59 143.3 51.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 1.9 111.468 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.4 t -96.41 153.9 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 1.87 110.501 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 71' ' ' ASP . 57.9 mt -92.04 -38.78 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 3.58 111.138 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 172' ' ' SER . 11.1 ptm180 -179.49 162.12 1.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.213 -0.449 . . . . 4.62 111.075 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.465 HG12 HG12 ' A' ' 68' ' ' VAL . 50.3 mt -122.57 103.35 13.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.494 . . . . 1.72 110.386 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 61' ' ' ASN . 3.3 tm? -113.71 133.87 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 2.58 110.765 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 m-20 -107.8 155.13 20.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 1.94 110.722 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -87.25 23.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 3.13 110.895 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.24 -4.22 64.65 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.683 -0.77 . . . . 2.64 112.03 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -139.47 -68.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 4.34 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.79 154.56 34.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 2.12 111.071 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -164.65 145.12 7.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.939 -0.573 . . . . 3.39 110.47 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 94' ' ' HIS . 1.1 m120 -81.17 143.37 32.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 2.57 110.671 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 59' ' ' ILE . 3.7 m -76.04 116.78 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 1.95 111.278 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 92' ' ' GLN . 10.5 pt-20 -100.12 147.8 25.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.887 0.375 . . . . 3.84 111.107 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.55 175.97 5.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.168 -0.469 . . . . 4.12 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' HB2' HD21 ' A' ' 57' ' ' LEU . 20.8 t70 -64.38 132.03 48.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 3.04 110.835 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -101.52 -19.73 15.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 3.88 111.466 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -71.77 -14.74 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 3.2 111.015 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -131.34 -173.34 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 4.06 110.651 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.91 105.68 3.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 2.84 111.065 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 pttm -129.62 28.94 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 3.26 110.958 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.676 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -161.36 118.03 2.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.9 -0.591 . . . . 1.42 110.757 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -143.71 167.46 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 1.72 111.336 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' TYR . 64.2 tp -148.26 124.87 11.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 2.3 111.219 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -157.56 138.94 13.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 2.67 110.823 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.621 ' HA3' HD11 ' A' ' 44' ' ' LEU . . . -91.79 -176.3 42.69 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.912 -0.661 . . . . 2.5 112.689 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.68 -88.86 0.02 OUTLIER Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.021 -0.609 . . . . 2.63 113.009 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' HD2' HD12 ' A' ' 44' ' ' LEU . 19.7 Cg_endo -59.81 -14.94 29.5 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.572 2.182 . . . . 4.13 112.586 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.447 HD12 ' HA3' ' A' ' 81' ' ' GLY . 75.1 mt -71.8 132.6 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 3.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.4 65.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 5.04 110.513 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.65 92.41 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.969 -0.634 . . . . 1.92 112.161 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -61.73 141.56 57.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 1.68 111.55 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.55 ' HB2' ' HB3' ' A' ' 79' ' ' LEU . 77.3 m-85 -112.03 117.3 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 3.43 110.635 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -88.7 138.55 31.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 3.79 111.046 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.522 HD23 HD11 ' A' ' 120' ' ' LEU . 6.6 mp -85.34 131.5 34.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.212 -0.449 . . . . 2.52 110.571 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.2 mp -103.18 -68.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.469 -0.332 . . . . 2.47 111.216 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 91' ' ' ILE . 9.6 pt20 -159.39 161.8 35.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 2.41 111.187 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.437 ' HB3' ' HG ' ' A' ' 120' ' ' LEU . 36.1 p90 -142.73 163.16 33.56 Favored 'General case' 0 C--N 1.335 -0.059 0 CA-C-O 120.843 0.354 . . . . 1.57 110.833 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 10.6 p-80 -130.51 168.2 17.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 1.29 110.805 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -128.9 143.12 50.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.19 111.587 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -96.68 170.79 8.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.948 -0.569 . . . . 1.68 110.22 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.481 ' H ' ' ND2' ' A' ' 243' ' ' ASN . 79.5 m95 -148.74 106.28 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.655 -0.248 . . . . 5.75 110.96 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.94 161.39 3.86 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.897 -0.668 . . . . 3.04 112.718 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.1 t -77.17 -28.29 54.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.336 . . . . 4.29 111.017 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 103' ' ' GLN . 52.1 tp -89.47 153.35 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 5.2 110.757 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.73 39.74 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 5.33 111.009 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.84 -42.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 4.18 112.538 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 12.2 pt20 -164.58 162.4 21.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 4.67 111.064 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.0 62.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.74 -0.743 . . . . 1.95 112.722 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -101.02 177.28 4.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.697 0.284 . . . . 2.04 110.722 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 43.0 mt-10 -80.97 -73.39 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.375 . . . . 2.64 110.986 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -66.7 172.66 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 2.11 110.827 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 86.6 m -153.17 98.36 2.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.198 -0.455 . . . . 1.88 110.848 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.45 HG22 ' HE2' ' A' ' 114' ' ' TYR . 21.3 m -95.64 145.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 2.24 111.331 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.9 t70 53.17 32.77 13.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 2.18 110.937 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 24.94 10.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 3.37 111.391 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -121.2 117.93 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 3.86 110.853 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -89.11 147.77 24.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 2.57 110.693 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.45 ' HE2' HG22 ' A' ' 109' ' ' VAL . 70.7 m-85 -112.68 174.31 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 2.18 110.908 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -72.75 -43.15 63.26 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 1.72 110.76 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -167.43 177.89 5.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.949 -0.568 . . . . 1.55 110.743 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 146' ' ' PHE . 49.4 mt-10 -150.04 136.6 19.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 2.4 110.902 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 147' ' ' LEU . 3.6 pp -86.55 147.87 25.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.08 -0.341 . . . . 2.07 110.08 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.578 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 12.5 m170 -120.3 113.58 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 1.71 111.411 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 90' ' ' LEU . 7.0 tt -104.3 131.78 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 2.51 110.764 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.427 ' N ' HD23 ' A' ' 120' ' ' LEU . 10.5 t -113.88 123.87 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 1.83 111.284 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -131.79 109.55 10.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 2.43 110.899 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -90.84 142.83 27.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.339 -0.391 . . . . 3.95 110.897 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.582 HD22 ' N ' ' A' ' 125' ' ' THR . 0.2 OUTLIER -62.18 128.58 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 2.19 110.495 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.582 ' N ' HD22 ' A' ' 124' ' ' ASN . 31.8 p -68.97 -14.7 63.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 1.77 111.606 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.445 ' HG3' ' ND2' ' A' ' 124' ' ' ASN . 54.2 mtpt -66.66 -27.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 3.65 110.801 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -96.84 -12.02 24.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 4.38 110.849 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.48 -60.19 4.9 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.739 -0.744 . . . . 2.22 112.556 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -136.36 163.28 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 3.07 110.995 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 133' ' ' ALA . 30.8 p90 -61.44 -19.4 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 3.08 111.15 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.42 -46.91 93.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.613 -0.804 . . . . 2.36 112.607 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -89.78 -17.45 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 3.63 111.0 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 130' ' ' PHE . . . -74.1 -41.62 61.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 1.73 111.35 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 130' ' ' PHE . 22.0 m -61.52 -11.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 2.3 111.699 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.18 -26.7 62.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 3.84 110.607 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -112.96 151.07 43.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 3.22 110.733 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.48 -31.27 61.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.525 2.15 . . . . 2.44 112.05 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -107.66 10.34 29.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.64 110.894 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' A' ' 133' ' ' ALA . . . -55.63 -42.36 84.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.878 -0.677 . . . . 1.49 112.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 140' ' ' LEU . 1.5 pt? -140.23 146.68 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 1.76 111.176 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.4 156.68 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 0.98 110.597 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.39 116.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 1.3 111.915 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 63.8 tp -85.64 140.02 30.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 2.1 110.343 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -133.49 135.49 8.08 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.513 -0.851 . . . . 1.4 112.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.5 mt -126.7 142.41 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.53 110.61 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.499 ' HA ' ' HG2' ' A' ' 117' ' ' GLU . 72.9 m-85 -81.9 160.05 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 4.48 111.195 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 118' ' ' LEU . 79.4 mt -141.36 96.69 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.007 -0.542 . . . . 3.25 110.84 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -115.14 150.1 36.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 4.32 110.989 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.16 152.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 3.13 110.981 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.88 -176.85 18.18 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.769 -0.729 . . . . 3.15 112.639 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.2 m 66.03 138.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.021 0.438 . . . . 3.85 111.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.65 166.47 21.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 3.82 111.148 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 154' ' ' PRO . 39.7 ttmt -108.15 138.77 20.22 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.185 -0.462 . . . . 5.19 110.656 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 153' ' ' LYS . 27.1 Cg_exo -62.65 0.24 1.59 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.666 2.244 . . . . 3.09 112.764 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.31 34.14 4.31 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.589 -0.815 . . . . 2.71 113.086 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 159' ' ' VAL . 4.0 mm? -106.51 21.62 17.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 3.94 110.48 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.11 -43.05 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 3.55 111.495 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -61.16 -36.41 79.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 4.82 111.229 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 156' ' ' LEU . 84.3 t -63.12 -43.68 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.325 -0.398 . . . . 3.12 111.459 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 35.1 m -83.78 -13.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.467 -0.333 . . . . 3.14 111.6 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -55.24 -19.41 8.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.953 0.406 . . . . 3.01 111.173 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.601 HG11 HG21 ' A' ' 176' ' ' THR . 11.2 p -56.35 -17.91 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.951 -0.568 . . . . 2.46 111.974 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -60.8 -26.68 67.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.948 0.404 . . . . 2.31 111.404 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.69 -12.23 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.91 -0.586 . . . . 2.42 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 46.4 t -77.37 -27.56 52.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.959 -0.564 . . . . 1.85 111.481 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 171' ' ' LYS . 3.1 mp -101.7 51.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 2.44 111.362 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -54.53 -48.3 72.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 3.75 110.253 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 81.0 p -100.43 154.65 18.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.821 -0.627 . . . . 2.36 110.613 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 239' ' ' LEU . 11.7 mptt -79.72 143.2 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 3.46 110.69 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.26 6.82 23.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 2.2 112.681 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 166' ' ' ILE . 17.7 tppt? -108.77 152.21 25.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 3.33 110.628 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.599 ' HB3' HH21 ' A' ' 58' ' ' ARG . 88.5 p -96.86 146.0 25.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 2.27 110.81 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -98.24 144.16 27.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 1.89 111.617 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.76 158.22 22.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.589 . . . . 3.74 110.989 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -47.66 105.04 0.06 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.099 -0.5 . . . . 4.47 110.896 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.601 HG21 HG11 ' A' ' 162' ' ' VAL . 51.6 p -144.52 -172.63 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 4.59 111.398 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 59.6 t30 57.92 57.02 4.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.773 -0.648 . . . . 6.35 111.314 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -105.25 128.47 53.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 4.67 110.817 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -122.66 77.33 47.41 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 3.92 111.098 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.73 -8.23 22.07 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 4.59 112.216 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -82.93 -6.77 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 8.64 111.088 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -79.6 62.91 4.06 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.759 -0.734 . . . . 3.43 112.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 183' ' ' LEU . 6.6 mp -86.37 12.43 10.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 5.71 110.623 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -52.67 147.77 14.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 4.53 111.128 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.46 133.22 14.25 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.526 2.151 . . . . 3.71 112.512 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.18 -11.21 59.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 6.38 111.059 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 65.0 p -71.21 94.8 1.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.2 -0.455 . . . . 5.07 110.98 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.628 ' HG ' ' H ' ' A' ' 189' ' ' ASP . 7.3 tp -165.56 -161.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 4.32 110.482 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.628 ' H ' ' HG ' ' A' ' 188' ' ' LEU . 11.1 m-20 -111.42 -179.1 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 3.78 110.847 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 258' ' ' SER . 27.6 p90 -169.85 149.98 3.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.353 -0.385 . . . . 3.36 110.707 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 210' ' ' VAL . 21.8 m95 -72.51 144.77 47.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.474 -0.33 . . . . 4.16 110.788 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.516 ' H ' ' HA ' ' A' ' 257' ' ' ALA . 4.8 t -152.41 129.79 11.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.455 -0.338 . . . . 1.5 111.411 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -156.51 127.67 3.66 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.333 -0.394 . . . . 2.91 110.841 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.35 133.75 16.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.376 2.051 . . . . 1.48 112.355 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -108.48 165.8 12.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 1.64 112.534 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 14.3 m -116.41 -173.94 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.382 -0.229 . . . . 2.75 110.382 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.452 ' HB2' HD23 ' A' ' 203' ' ' LEU . 7.1 tp -68.42 -154.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.678 -0.237 . . . . 5.98 110.46 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 27' ' ' ARG . 5.8 t -80.43 -6.65 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.088 0.47 . . . . 5.3 110.583 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 200' ' ' PRO . 28.3 p -106.08 165.51 12.89 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.705 -0.68 . . . . 4.96 110.496 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 199' ' ' THR . 82.4 Cg_exo -43.31 163.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.581 2.187 . . . . 5.64 112.478 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -37.4 95.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.942 2.428 . . . . 6.0 113.103 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.15 -54.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.949 -0.569 . . . . 5.41 110.538 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 197' ' ' LEU . 4.0 mm? -90.44 167.0 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 5.02 110.746 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.51 44.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 3.98 111.221 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . . . . . . . . . 22.7 p -98.48 12.36 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.061 0.458 . . . . 2.48 110.155 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.35 133.92 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.568 -0.742 . . . . 1.8 111.128 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . . . . . . . . . 27.0 m -113.15 141.57 46.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.355 -0.384 . . . . 1.27 110.603 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . 0.481 ' HH2' ' HE2' ' A' ' 119' ' ' HIS . 26.8 t-105 -102.62 108.27 19.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.45 . . . . 2.43 110.549 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.4 mp -112.18 150.11 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 1.45 110.82 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.595 ' HB ' ' HB2' ' A' ' 191' ' ' TRP . 94.1 t -127.69 122.14 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 2.12 110.867 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.645 ' HG ' ' H ' ' A' ' 213' ' ' GLU . 40.9 tp -56.64 143.53 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 3.85 110.721 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.742 ' HD2' ' H ' ' A' ' 212' ' ' LYS . 0.0 OUTLIER -62.77 -21.73 66.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 5.85 111.25 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.645 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 36.8 tt0 -133.78 84.35 44.63 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 5.91 110.804 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.24 134.34 63.62 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.556 2.171 . . . . 3.58 112.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 43.1 mt -74.74 147.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.5 . . . . 4.42 110.89 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 84.3 p -134.26 144.51 48.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.976 0.417 . . . . 3.53 111.245 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.434 HG22 ' N ' ' A' ' 218' ' ' SER . 13.5 p -101.67 159.78 4.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 2.45 110.295 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 217' ' ' VAL . 70.4 m -103.99 150.55 24.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 3.39 111.051 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 79.7 p -60.51 -18.0 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 2.82 110.833 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.0 -22.71 27.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 4.51 110.753 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -77.43 -28.68 52.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.085 -0.507 . . . . 3.92 111.094 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.24 -20.43 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 2.44 111.149 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 219' ' ' SER . 94.3 mt -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 2.8 110.807 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.28 -14.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 3.78 110.951 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -77.02 -22.38 53.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 3.33 110.551 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -70.31 -5.79 30.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.92 -0.582 . . . . 4.82 111.219 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -69.06 -25.92 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 3.25 110.927 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.04 162.22 29.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 2.93 110.845 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . 0.487 ' H ' ' NZ ' ' A' ' 169' ' ' LYS . 58.5 m-20 -111.4 145.94 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 2.92 111.268 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.446 ' HB2' ' HG3' ' A' ' 240' ' ' MET . 34.6 p90 -96.63 -15.16 21.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.085 -0.507 . . . . 5.3 110.914 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . 0.433 ' N ' ' HB2' ' A' ' 238' ' ' GLU . 27.6 t-20 177.71 137.03 0.07 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.914 -0.585 . . . . 4.3 110.601 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -127.17 158.25 20.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.594 -0.812 . . . . 4.09 112.191 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -85.82 143.69 28.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 7.57 110.755 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 63.77 12.59 48.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.804 -0.712 . . . . 6.31 112.585 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.91 152.85 73.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.43 0.157 . . . . 5.7 110.809 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -51.32 162.73 1.23 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.455 2.104 . . . . 6.54 112.358 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.81 143.98 34.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 6.78 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . 0.433 ' HB2' ' N ' ' A' ' 231' ' ' ASN . 13.3 mm-40 -111.95 159.32 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 5.03 110.883 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.49 ' HB3' ' HE2' ' A' ' 169' ' ' LYS . 55.9 tp -56.63 102.45 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 5.11 111.447 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.446 ' HG3' ' HB2' ' A' ' 230' ' ' PHE . 58.5 ttp -100.15 147.05 26.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 5.21 110.336 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.55 126.61 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 3.44 110.983 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -173.5 37.31 0.01 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.392 -0.367 . . . . 3.67 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.481 ' ND2' ' H ' ' A' ' 97' ' ' TRP . 36.0 m-80 -83.87 55.76 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 3.74 110.966 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -106.56 134.24 50.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.545 . . . . 3.25 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.428 ' HB3' ' HG3' ' A' ' 30' ' ' PRO . 21.7 mmm180 -140.73 153.86 68.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 3.78 110.843 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -63.42 173.11 4.59 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.553 2.169 . . . . 2.43 112.209 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -161.45 43.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 3.18 110.786 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 125.58 80.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 5.35 110.817 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.29 128.01 15.81 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.392 2.062 . . . . 4.02 112.41 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 61.2 mt -79.12 -35.5 42.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.545 . . . . 3.94 110.875 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 20.6 tptm 63.22 25.89 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.782 -0.645 . . . . 6.83 110.034 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -127.0 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 5.02 111.111 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -71.12 156.39 39.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 5.82 111.334 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 162.95 16.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.958 -0.564 . . . . 3.22 110.764 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.418 HG21 HG23 ' A' ' 33' ' ' ILE . 6.1 tp -116.09 126.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 2.02 110.946 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -96.7 151.15 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 2.91 110.929 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -164.72 172.48 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 1.46 111.23 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . 0.529 ' HA ' ' H ' ' A' ' 41' ' ' ASP . 48.4 t -115.02 -13.69 11.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 2.32 110.634 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.44 ' HD2' ' HB2' ' A' ' 189' ' ' ASP . 92.7 t80 -111.71 147.42 35.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 3.3 110.592 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.212 -0.899 . . . . 4.59 110.926 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . 1.457 ' S2 ' ' C1 ' ' A' ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.661 0.267 . . . . 32.91 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t 61.59 107.08 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.062 -0.517 . . . . 30.03 111.148 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -144.37 -58.63 0.37 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 29.61 111.199 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -86.25 121.03 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 26.81 110.96 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.4 m-90 -94.33 134.43 36.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 25.62 110.853 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.85 -178.56 37.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 23.39 112.492 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -124.61 -56.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 23.38 110.842 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.88 -62.13 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 19.99 112.513 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.39 -20.83 65.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 19.34 110.905 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.07 -22.99 52.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 18.14 110.548 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -87.19 9.13 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 18.74 111.013 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.37 166.04 24.57 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.537 -0.84 . . . . 16.42 112.667 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 83.68 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.653 2.235 . . . . 15.7 112.434 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -172.92 132.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 15.32 110.762 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -168.35 38.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 15.63 111.214 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -64.61 -40.03 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 11.72 110.931 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -74.24 -14.91 60.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.278 -0.419 . . . . 12.77 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -76.69 -18.17 58.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 15.94 110.918 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.56 -54.64 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 12.96 110.684 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 91.1 m-85 -133.25 139.9 35.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 10.55 110.387 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' PHE . 17.2 Cg_exo -66.64 7.67 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.753 2.302 . . . . 9.69 113.177 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.767 HG21 ' HA ' ' A' ' 201' ' ' PRO . 4.1 mm -63.29 -39.37 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 8.17 110.543 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.94 -31.57 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 9.4 110.794 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.69 -12.13 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 13.28 110.036 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 73.32 0.16 Allowed Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.599 -0.728 . . . . 8.88 112.081 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.99 -88.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.612 0.244 . . . . 8.92 111.198 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 58.17 22.44 9.12 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.132 0.491 . . . . 9.6 110.313 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.47 -45.4 79.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 6.33 110.984 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 48.8 m -78.44 137.49 59.58 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.231 -0.441 . . . . 3.57 111.259 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 16.2 Cg_exo -69.02 136.33 34.65 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.814 2.342 . . . . 2.88 112.45 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.625 HG22 ' H ' ' A' ' 32' ' ' ASP . 3.5 p -131.18 175.5 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.108 -0.496 . . . . 2.26 110.76 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HG22 ' A' ' 31' ' ' VAL . 21.2 t70 -86.39 98.58 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 2.44 110.332 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.538 HG23 HG12 ' A' ' 255' ' ' ILE . 2.4 mp -73.5 134.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 1.53 111.265 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.502 ' HB2' HG22 ' A' ' 37' ' ' THR . 3.7 m-20 -112.77 129.01 56.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 1.51 110.787 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.7 m -73.44 -17.39 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.474 . . . . 1.95 110.502 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -81.33 -38.42 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 3.43 111.247 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 34' ' ' ASP . 9.8 t -75.72 -22.38 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.36 . . . . 1.73 111.156 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.95 147.69 23.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 1.29 110.751 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -105.48 151.23 24.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.951 0.405 . . . . 3.53 111.398 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.552 ' HB2' ' HG2' ' A' ' 260' ' ' LYS . 91.9 t80 -87.86 112.22 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.819 -0.628 . . . . 4.17 110.538 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -111.06 99.05 41.58 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.446 -0.343 . . . . 3.04 111.16 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.75 3.83 7.43 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.449 2.1 . . . . 2.3 112.382 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -69.93 -45.62 67.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 3.07 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.569 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 80.4 mt -70.83 157.9 37.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 3.08 110.801 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -106.79 155.93 38.15 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 4.28 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.25 125.88 11.0 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.486 2.124 . . . . 2.41 112.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 80' ' ' LYS . 21.7 tp -63.75 85.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 5.24 110.939 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.6 m -72.6 109.56 6.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 2.67 110.316 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.19 124.58 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 2.44 111.461 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.6 m -93.69 144.92 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 2.58 110.239 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -168.85 40.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 4.87 111.157 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.16 -28.41 29.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 4.17 110.218 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -109.83 5.55 22.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.78 -0.646 . . . . 4.62 110.816 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 77' ' ' ALA . . . -58.36 120.89 9.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 1.97 110.858 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 178' ' ' PHE . 57.6 m -157.34 142.63 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.189 -0.459 . . . . 1.9 111.043 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 93.8 p -91.4 156.44 17.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 1.87 110.596 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 46.6 tp -104.66 -39.09 6.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 3.58 111.254 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -175.95 139.09 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.394 -0.366 . . . . 4.62 111.23 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 tt -121.65 103.54 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.171 0.51 . . . . 1.72 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.64 175.88 5.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 2.58 111.321 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.442 HD22 ' HG3' ' A' ' 169' ' ' LYS . 2.9 m-20 -116.36 158.67 23.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.818 -0.628 . . . . 1.94 110.455 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -106.37 23.77 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.13 111.415 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.07 14.43 82.25 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.279 -0.963 . . . . 2.64 111.976 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -167.61 -53.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 4.34 110.76 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -123.09 145.72 48.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 2.12 110.733 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -120.82 136.45 54.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 3.39 111.695 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.483 ' HB3' ' HB2' ' A' ' 92' ' ' GLN . 17.0 m120 -133.39 153.21 51.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.841 -0.618 . . . . 2.57 110.43 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 93' ' ' PHE . 2.3 t -89.48 124.54 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.599 -0.273 . . . . 1.95 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -104.84 132.27 51.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 3.84 110.954 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -103.63 164.65 11.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 4.12 110.829 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 13.8 t70 -90.04 150.66 22.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.378 -0.374 . . . . 3.04 110.83 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.87 31.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 3.88 111.249 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 t -74.52 -45.01 48.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 3.2 110.94 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -147.97 -169.84 3.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 4.06 110.756 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.18 -21.2 58.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 2.84 110.407 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 71' ' ' ASP . 1.8 mptm? 61.05 -84.27 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 3.26 111.484 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.593 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -135.38 134.03 39.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 1.42 111.371 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.91 158.44 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 1.72 110.944 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 88' ' ' TYR . 10.0 mp -113.46 120.74 42.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.412 -0.358 . . . . 2.3 110.947 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.47 ' NZ ' HD11 ' A' ' 84' ' ' LEU . 32.4 mmmt -127.33 163.53 23.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.287 -0.415 . . . . 2.67 110.774 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.31 176.3 28.83 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.701 -0.761 . . . . 2.5 112.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 44' ' ' LEU . . . 54.0 -151.36 12.59 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.739 -0.743 . . . . 2.63 112.069 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD3' HD13 ' A' ' 44' ' ' LEU . 36.1 Cg_exo -58.06 87.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.228 1.952 . . . . 4.13 111.373 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.47 HD11 ' NZ ' ' A' ' 80' ' ' LYS . 23.2 tp -66.04 131.47 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 3.0 111.756 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -158.49 36.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.91 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.41 126.61 5.88 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.862 -0.685 . . . . 1.92 111.969 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 t -49.13 125.66 11.14 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.868 0.366 . . . . 1.68 111.314 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . 85.7 m-85 -87.18 124.44 33.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.066 -0.515 . . . . 3.43 111.419 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -103.42 149.63 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 3.79 110.569 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.5 tp -87.29 136.0 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 2.52 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -112.92 -63.87 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.347 -0.388 . . . . 2.47 110.983 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 67' ' ' ASN . 4.1 pt20 -159.24 154.55 25.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 2.41 110.756 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.533 ' O ' HG23 ' A' ' 68' ' ' VAL . 35.0 p90 -150.17 168.05 25.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.742 0.306 . . . . 1.57 111.039 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 119' ' ' HIS . 22.8 p-80 -137.27 168.25 19.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.29 110.445 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' HA ' HD22 ' A' ' 118' ' ' LEU . 37.7 m-85 -111.26 160.34 17.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.056 0.455 . . . . 3.19 112.102 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.597 ' HD1' HD22 ' A' ' 243' ' ' ASN . 30.2 m-70 -127.38 170.97 11.95 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.742 -0.663 . . . . 1.68 110.323 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.493 ' HE1' HG13 ' A' ' 222' ' ' VAL . 38.6 t90 -173.06 100.47 0.13 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.791 0.329 . . . . 5.75 110.936 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.34 169.7 2.81 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.882 -0.675 . . . . 3.04 112.484 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.8 m -68.27 -31.29 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.292 . . . . 4.29 111.199 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.24 133.25 33.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 5.2 110.594 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.88 30.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 5.33 110.801 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.85 -49.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.882 -0.675 . . . . 4.18 112.351 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 115' ' ' ALA . 55.9 mt-30 -145.63 133.92 21.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.904 0.383 . . . . 4.67 111.099 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.24 58.49 0.03 OUTLIER Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.761 -0.733 . . . . 1.95 112.709 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -100.88 -174.43 2.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.675 0.274 . . . . 2.04 110.851 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG3' ' HB2' ' A' ' 245' ' ' ARG . 36.3 tt0 -84.83 -80.76 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.369 -0.378 . . . . 2.64 110.725 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -86.71 168.73 13.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 2.11 110.4 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 113' ' ' LYS . 66.2 p -138.7 122.01 17.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.88 111.151 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.9 m -104.37 151.51 6.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 2.24 110.8 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t70 54.69 32.76 17.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.493 . . . . 2.18 110.424 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 58.58 25.12 12.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 3.37 111.186 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -121.99 144.39 48.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 3.86 110.809 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 108' ' ' THR . 25.1 ttmm -109.44 151.28 26.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 2.57 110.955 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.38 169.46 8.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.27 -0.423 . . . . 2.18 110.721 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 103' ' ' GLN . . . -65.72 -50.01 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.689 0.28 . . . . 1.72 111.35 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.84 -177.6 5.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 1.55 111.068 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -152.19 120.31 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 2.4 110.609 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 95' ' ' PHE . 39.4 mt -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 2.07 111.132 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.423 ' HB2' ' NE2' ' A' ' 94' ' ' HIS . 1.2 m170 -105.8 104.16 13.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.152 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 120' ' ' LEU . 6.6 mp -113.8 110.81 20.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 2.51 110.67 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.0 t -94.04 147.44 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 1.83 111.297 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -131.69 120.17 22.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 2.43 110.817 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.552 ' HB2' HG12 ' A' ' 91' ' ' ILE . 10.1 m95 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 3.95 110.987 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.609 HD22 ' N ' ' A' ' 124' ' ' ASN . 0.1 OUTLIER -57.06 129.76 43.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 2.19 110.754 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.0 t -63.0 -14.72 51.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.989 0.423 . . . . 1.77 111.297 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -13.96 6.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.655 -0.702 . . . . 3.65 111.361 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.472 ' HD1' ' HB2' ' A' ' 133' ' ' ALA . 0.5 OUTLIER -77.17 -29.75 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 4.38 111.457 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.24 -65.51 2.69 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.539 -0.839 . . . . 2.22 112.167 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -137.32 163.23 31.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.661 0.267 . . . . 3.07 110.895 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -55.18 -43.7 74.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.389 -0.369 . . . . 3.08 111.392 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -52.64 -27.4 27.07 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.981 -0.628 . . . . 2.36 112.931 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 127' ' ' TYR . 75.9 mmtt -89.52 -32.18 17.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.763 0.316 . . . . 3.63 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.477 ' HB1' HD21 ' A' ' 140' ' ' LEU . . . -58.73 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 1.73 110.539 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 22.6 m -66.82 -22.47 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.793 -0.639 . . . . 2.3 111.101 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -80.94 -21.0 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.528 . . . . 3.84 111.056 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -116.28 96.1 46.78 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.397 -0.365 . . . . 3.22 110.762 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.639 ' HB3' ' HG3' ' A' ' 204' ' ' GLU . 31.8 Cg_exo -58.29 -44.94 34.19 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.493 2.129 . . . . 2.44 112.584 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.44 15.55 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.408 . . . . 2.64 111.198 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -86.39 -34.35 12.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.721 . . . . 1.49 112.507 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 140' ' ' LEU . 2.3 mm? -110.4 122.51 47.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 1.76 110.72 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -122.33 123.29 41.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.384 . . . . 0.98 111.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 207' ' ' THR . 40.2 t -90.53 117.87 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.3 111.064 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 79' ' ' LEU . 55.3 tp -85.93 132.46 34.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 2.1 110.879 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -112.4 135.46 12.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.8 -0.714 . . . . 1.4 112.692 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 81.7 mt -127.39 104.27 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 1.53 110.894 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.426 ' O ' HD23 ' A' ' 147' ' ' LEU . 85.5 m-85 -70.42 153.17 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 4.48 110.877 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.432 HD11 HD21 ' A' ' 118' ' ' LEU . 68.6 mt -128.52 135.75 49.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 3.25 110.752 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -138.72 143.21 38.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.496 -0.32 . . . . 4.32 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -66.38 130.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.399 . . . . 3.13 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 142.34 160.25 8.27 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.72 . . . . 3.15 112.072 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.9 t 58.93 77.31 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.902 0.382 . . . . 3.85 110.543 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.69 161.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 3.82 111.462 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 157' ' ' GLN . 19.7 pttp -66.3 146.73 99.05 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.435 . . . . 5.19 110.733 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.6 19.62 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.522 2.148 . . . . 3.09 112.372 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.83 54.9 0.52 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.872 -0.68 . . . . 2.71 112.337 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.06 28.4 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 3.94 110.486 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 153' ' ' LYS . 53.0 tt0 -52.5 -43.23 64.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.701 -0.681 . . . . 3.55 111.47 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 4.82 111.083 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.46 -29.96 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 3.12 110.759 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.36 -22.19 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 3.14 110.926 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -80.35 -19.61 46.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 3.01 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 40.1 t -56.65 -30.07 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 2.46 111.124 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 -32.47 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 2.31 111.111 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.23 -14.26 4.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 2.42 110.734 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 48.2 t -84.58 -31.09 24.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.075 -0.511 . . . . 1.85 111.03 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 166' ' ' ILE . 0.2 OUTLIER -133.77 45.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.016 0.436 . . . . 2.44 111.048 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 227' ' ' LYS . 79.1 tttt -78.55 -45.95 20.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 3.75 111.118 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 72.3 p -91.33 149.9 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.368 -0.378 . . . . 2.36 111.078 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 169' ' ' LYS . 0.5 OUTLIER -80.62 147.28 30.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.988 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 112.34 -19.91 21.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.938 -0.649 . . . . 2.2 112.435 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -109.33 155.95 20.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 3.33 110.81 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 95.0 p -125.16 164.34 20.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 2.27 110.895 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -168.02 135.01 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.331 -0.395 . . . . 1.89 111.063 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.85 137.52 32.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.307 -0.406 . . . . 3.74 110.878 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -146.31 115.35 6.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.371 -0.377 . . . . 4.47 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 29.2 p -110.78 179.62 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 4.59 110.591 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.65 48.41 18.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 6.35 111.245 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' PHE . . . . . 0.588 ' H ' HG23 ' A' ' 55' ' ' THR . 41.3 t80 -111.56 114.05 26.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 4.67 110.652 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -116.44 82.86 12.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 3.92 111.225 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.36 -44.37 1.14 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.401 2.067 . . . . 4.59 112.004 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -87.25 -9.35 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 8.64 110.633 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -55.19 -29.01 51.47 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.634 -0.793 . . . . 3.43 112.377 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 183' ' ' LEU . 7.1 mp -105.86 -13.89 15.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 5.71 110.836 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.22 138.81 45.33 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.235 -0.438 . . . . 4.53 110.998 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.63 146.41 16.88 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.648 2.232 . . . . 3.71 112.439 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.56 -12.01 59.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 6.38 111.428 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.9 t 59.11 -173.02 0.1 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.272 -0.422 . . . . 5.07 110.966 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.77 -92.03 0.49 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 4.32 110.704 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 259' ' ' PHE . 5.7 p-10 -61.33 165.69 4.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.593 -0.276 . . . . 3.78 110.53 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -169.45 171.12 7.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.04 0.448 . . . . 3.36 111.25 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.577 ' HA ' ' HB1' ' A' ' 257' ' ' ALA . 2.6 m-90 -131.1 147.68 52.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 4.16 109.826 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.3 t -143.69 141.24 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.993 0.425 . . . . 1.5 111.995 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -121.1 87.56 44.02 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.819 -0.628 . . . . 2.91 110.247 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . 0.476 ' HA ' HG23 ' A' ' 207' ' ' THR . 59.0 Cg_exo -50.55 129.5 26.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.575 2.183 . . . . 1.48 112.493 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . -127.6 -156.05 8.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 1.64 112.404 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 90.0 p -151.13 178.18 9.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 2.75 110.95 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.54 162.97 28.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 5.98 110.663 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 69.8 p -84.85 16.46 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.046 -0.524 . . . . 5.3 111.037 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 62.7 p -103.29 158.85 30.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 4.96 111.173 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -46.71 160.65 0.23 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.752 2.301 . . . . 5.64 112.807 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' PRO . . . . . 0.767 ' HA ' HG21 ' A' ' 22' ' ' ILE . 77.6 Cg_exo -49.24 98.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.707 2.271 . . . . 6.0 112.607 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.443 ' N ' HG13 ' A' ' 22' ' ' ILE . 38.5 tp -172.75 -28.84 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.262 -0.426 . . . . 5.41 111.301 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 68.4 mt -132.52 156.08 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.071 0.462 . . . . 5.02 111.403 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' GLU . . . . . 0.639 ' HG3' ' HB3' ' A' ' 137' ' ' PRO . 11.6 pt-20 -166.95 43.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.665 -0.698 . . . . 3.98 110.331 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 137' ' ' PRO . 68.0 m -88.64 14.3 10.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 2.48 110.706 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.57 110.78 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 1.8 111.222 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 194' ' ' PRO . 11.4 m -113.11 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.27 110.736 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -109.72 109.93 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 2.43 110.784 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' ILE . . . . . 0.495 ' N ' HD12 ' A' ' 209' ' ' ILE . 4.1 mp -108.59 145.89 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.45 110.678 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.99 136.49 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 2.12 111.059 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.646 ' HG ' ' H ' ' A' ' 212' ' ' LYS . 11.9 tp -76.2 -177.56 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 3.85 110.501 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . 0.646 ' H ' ' HG ' ' A' ' 211' ' ' LEU . 64.3 tttm -61.56 -55.68 28.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.637 0.256 . . . . 5.85 111.09 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -165.84 70.25 1.24 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 5.91 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -85.7 126.9 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.549 2.166 . . . . 3.58 112.73 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . . . . . . . . . 11.2 pt -154.72 114.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.033 -0.531 . . . . 4.42 110.736 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 50.3 m -135.36 102.64 5.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 3.53 111.494 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 90.4 t -146.07 136.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 2.45 110.879 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 222' ' ' VAL . 33.4 t -116.95 177.02 4.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.429 -0.35 . . . . 3.39 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 37.4 t -80.35 -46.91 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 2.82 110.603 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.74 -18.53 58.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 4.51 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -72.18 -38.38 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 3.92 110.951 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.493 HG13 ' HE1' ' A' ' 97' ' ' TRP . 58.7 t -78.58 -27.19 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 2.44 111.233 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 226' ' ' ARG . 42.3 tp -63.93 -18.55 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 2.8 110.943 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -84.99 -31.57 23.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 3.78 111.015 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -73.66 -21.11 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 3.33 111.07 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' ARG . . . . . 0.441 ' HD3' HD12 ' A' ' 223' ' ' LEU . 75.5 mtp180 -68.17 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 4.82 110.72 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.512 ' HB2' ' NZ ' ' A' ' 167' ' ' LYS . 85.9 mttt -93.57 -15.14 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 3.25 110.828 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.62 158.45 4.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.068 -0.515 . . . . 2.93 110.986 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 238' ' ' GLU . 20.1 p-10 -139.23 138.3 36.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 2.92 111.117 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . 0.484 ' HA ' ' HG2' ' A' ' 240' ' ' MET . 72.7 t80 -61.22 -38.47 86.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.159 -0.473 . . . . 5.3 110.514 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -131.26 131.62 44.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 4.3 110.81 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' GLY . . . . . . . . . . . . . . . -104.33 -142.0 11.37 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.833 -0.698 . . . . 4.09 112.54 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.39 147.56 30.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.833 0.349 . . . . 7.57 110.84 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . 83.73 -9.09 63.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.764 -0.731 . . . . 6.31 112.17 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -138.81 155.1 73.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.347 0.117 . . . . 5.7 110.797 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.96 158.9 2.79 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.625 2.217 . . . . 6.54 112.417 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 237' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.49 92.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 6.78 111.008 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 229' ' ' ASN . 8.8 mm-40 -115.16 142.58 46.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 5.03 110.779 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 239' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 239' ' ' LEU . 8.2 mp -96.57 140.44 31.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 5.11 110.676 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 240' ' ' MET . . . . . 0.484 ' HG2' ' HA ' ' A' ' 230' ' ' PHE . 0.0 OUTLIER -82.71 44.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 5.21 110.523 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . 0.426 HG23 ' OD2' ' A' ' 242' ' ' ASP . 34.1 m -117.74 -173.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 3.44 111.387 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 241' ' ' VAL . 3.0 m-20 64.93 36.17 7.82 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.065 -0.516 . . . . 3.67 110.681 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 243' ' ' ASN . . . . . 0.597 HD22 ' HD1' ' A' ' 96' ' ' HIS . 19.4 m120 -83.84 48.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 3.74 110.906 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 244' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -105.3 142.96 34.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 3.25 110.72 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 245' ' ' ARG . . . . . 0.425 ' HB2' ' HG3' ' A' ' 106' ' ' GLU . 40.3 mmt180 -126.57 153.61 75.35 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 3.78 111.252 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 246' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.17 154.76 52.13 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.655 2.237 . . . . 2.43 112.622 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 247' ' ' ALA . . . . . . . . . . . . . . . -163.22 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 3.18 110.721 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 249' ' ' PRO . 54.2 tt0 -57.44 129.88 80.61 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.621 . . . . 5.35 110.987 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 249' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 248' ' ' GLN . 22.8 Cg_exo -64.53 124.12 12.79 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.537 2.158 . . . . 4.02 112.224 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 31' ' ' VAL . 65.2 mt -78.75 -48.93 13.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.94 110.707 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -166.2 -65.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 6.83 110.697 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 252' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -153.56 -66.07 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.513 . . . . 5.02 110.717 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 63.6 137.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 5.82 111.532 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 254' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -102.6 135.54 44.04 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.061 -0.518 . . . . 3.22 110.764 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 33' ' ' ILE . 4.6 mp -102.48 129.46 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.426 -0.352 . . . . 2.02 111.226 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -88.68 87.16 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 2.91 110.588 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 191' ' ' TRP . . . -109.86 167.43 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.46 111.396 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 95.7 p -86.96 -24.94 24.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 2.32 110.454 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 259' ' ' PHE . . . . . 0.512 ' HB2' ' HB2' ' A' ' 189' ' ' ASP . 61.3 t80 -111.82 164.22 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 3.3 110.376 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 260' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 40' ' ' TYR . 68.2 mttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.189 -0.91 . . . . 4.59 111.266 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' AZM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_